methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate

C86H114Cl4F6N12O20 — CID 162234201

About methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate

methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate (PubChem CID 162234201) has the molecular formula C86H114Cl4F6N12O20 and a molecular weight of 1891.72 g/mol. Its IUPAC name is methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate
• PubChem CID: 162234201
• Molecular Formula: C86H114Cl4F6N12O20
• Molecular Weight: 1891.72 g/mol
• Exact Mass: 1888.69
• IUPAC Name: methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate
• SMILES: CC[C@@H](CC(=O)NC(=O)OC(C)C)Nc1ccc(C(F)(F)F)cc1.CC[C@@H](CC(=O)NC(=O)OC)Nc1cc(Cl)cc(Cl)c1.CC[C@@H](CC(=O)NC(=O)OC)Nc1ccc(OC)cc1.CC[C@H](CC(=O)NC(=O)OC(C)C)Nc1ccc(C(F)(F)F)cc1.CC[C@H](CC(=O)NC(=O)OC)Nc1cc(Cl)cc(Cl)c1.CC[C@H](CC(=O)NC(=O)OC)Nc1ccc(OC)cc1
• InChI: InChI=1S/2C16H21F3N2O3.2C14H20N2O4.2C13H16Cl2N2O3/c2*1-4-12(9-14(22)21-15(23)24-10(2)3)20-13-7-5-11(6-8-13)16(17,18)19;2*1-4-10(9-13(17)16-14(18)20-3)15-11-5-7-12(19-2)8-6-11;2*1-3-10(7-12(18)17-13(19)20-2)16-11-5-8(14)4-9(15)6-11/h2*5-8,10,12,20H,4,9H2,1-3H3,(H,21,22,23);2*5-8,10,15H,4,9H2,1-3H3,(H,16,17,18);2*4-6,10,16H,3,7H2,1-2H3,(H,17,18,19)/t2*12-;4*10-/m101010/s1
• InChIKey: ZVVNZRWNNOHJPM-OHUBBOHQSA-N
• XLogP: 19.12
• TPSA: 423.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.72
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate?

The IUPAC name of methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate (CID 162234201) is methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate.

What is the SMILES notation for methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate?

The canonical SMILES for methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate is CC[C@@H](CC(=O)NC(=O)OC(C)C)Nc1ccc(C(F)(F)F)cc1.CC[C@@H](CC(=O)NC(=O)OC)Nc1cc(Cl)cc(Cl)c1.CC[C@@H](CC(=O)NC(=O)OC)Nc1ccc(OC)cc1.CC[C@H](CC(=O)NC(=O)OC(C)C)Nc1ccc(C(F)(F)F)cc1.CC[C@H](CC(=O)NC(=O)OC)Nc1cc(Cl)cc(Cl)c1.CC[C@H](CC(=O)NC(=O)OC)Nc1ccc(OC)cc1.

What is the InChIKey of methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate?

The InChIKey is ZVVNZRWNNOHJPM-OHUBBOHQSA-N. The full InChI is InChI=1S/2C16H21F3N2O3.2C14H20N2O4.2C13H16Cl2N2O3/c2*1-4-12(9-14(22)21-15(23)24-10(2)3)20-13-7-5-11(6-8-13)16(17,18)19;2*1-4-10(9-13(17)16-14(18)20-3)15-11-5-7-12(19-2)8-6-11;2*1-3-10(7-12(18)17-13(19)20-2)16-11-5-8(14)4-9(15)6-11/h2*5-8,10,12,20H,4,9H2,1-3H3,(H,21,22,23);2*5-8,10,15H,4,9H2,1-3H3,(H,16,17,18);2*4-6,10,16H,3,7H2,1-2H3,(H,17,18,19)/t2*12-;4*10-/m101010/s1.

What are the key properties of methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate?

methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate has a molecular weight of 1891.72 g/mol, XLogP of 19.12, 34 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(3R)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(3,5-dichloroanilino)pentanoyl]carbamate;methyl N-[(3R)-3-(4-methoxyanilino)pentanoyl]carbamate;methyl N-[(3S)-3-(4-methoxyanilino)pentanoyl]carbamate;propan-2-yl N-[(3R)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate;propan-2-yl N-[(3S)-3-[4-(trifluoromethyl)anilino]pentanoyl]carbamate is sourced from PubChem (CID 162234201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).