(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide

C17H16ClF3N2O2 — CID 2471713

IUPAC(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H16ClF3N2O2/c1-8-6-13(14(25-3)7-10(8)18)22-9(2)17(24)23-12-5-4-11(19)15(20)16(12)21/h4-7,9,22H,1-3H3,(H,23,24)/t9-/m1/s1
InChIKeyUWBOFGDLDMAYDN-SECBINFHSA-N
MW372.77 g/mol
LogP4.51
Rot. Bonds5

About (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 2471713) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID2471713
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H16ClF3N2O2/c1-8-6-13(14(25-3)7-10(8)18)22-9(2)17(24)23-12-5-4-11(19)15(20)16(12)21/h4-7,9,22H,1-3H3,(H,23,24)/t9-/m1/s1
InChIKeyUWBOFGDLDMAYDN-SECBINFHSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500487
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
CID 35970323
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 2471713) is (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide is COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is UWBOFGDLDMAYDN-SECBINFHSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-8-6-13(14(25-3)7-10(8)18)22-9(2)17(24)23-12-5-4-11(19)15(20)16(12)21/h4-7,9,22H,1-3H3,(H,23,24)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 372.77 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 2471713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).