N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide

C32H50Cl2F2N4O2 — CID 143284571

About N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide

N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide (PubChem CID 143284571) has the molecular formula C32H50Cl2F2N4O2 and a molecular weight of 631.68 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide
• PubChem CID: 143284571
• Molecular Formula: C32H50Cl2F2N4O2
• Molecular Weight: 631.68 g/mol
• Exact Mass: 630.33
• IUPAC Name: N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide
• SMILES: CC.CC(C)(C)C.CC(CNCc1cc(F)c(Cl)cc1NC=O)c1cccc(Cl)c1F.O=CNCCN1CCCCC1
• InChI: InChI=1S/C17H16Cl2F2N2O.C8H16N2O.C5H12.C2H6/c1-10(12-3-2-4-13(18)17(12)21)7-22-8-11-5-15(20)14(19)6-16(11)23-9-24;11-8-9-4-7-10-5-2-1-3-6-10;1-5(2,3)4;1-2/h2-6,9-10,22H,7-8H2,1H3,(H,23,24);8H,1-7H2,(H,9,11);1-4H3;1-2H3
• InChIKey: UQBHOMAXACDDGI-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.68
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide?

The IUPAC name of N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide (CID 143284571) is N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide.

What is the SMILES notation for N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide?

The canonical SMILES for N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide is CC.CC(C)(C)C.CC(CNCc1cc(F)c(Cl)cc1NC=O)c1cccc(Cl)c1F.O=CNCCN1CCCCC1.

What is the InChIKey of N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide?

The InChIKey is UQBHOMAXACDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F2N2O.C8H16N2O.C5H12.C2H6/c1-10(12-3-2-4-13(18)17(12)21)7-22-8-11-5-15(20)14(19)6-16(11)23-9-24;11-8-9-4-7-10-5-2-1-3-6-10;1-5(2,3)4;1-2/h2-6,9-10,22H,7-8H2,1H3,(H,23,24);8H,1-7H2,(H,9,11);1-4H3;1-2H3.

What are the key properties of N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide?

N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide has a molecular weight of 631.68 g/mol, XLogP of 8.03, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[[2-(3-chloro-2-fluorophenyl)propylamino]methyl]-4-fluorophenyl]formamide;2,2-dimethylpropane;ethane;N-(2-piperidin-1-ylethyl)formamide is sourced from PubChem (CID 143284571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).