(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide

C17H19ClN2O2 — CID 2475334

IUPAC(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O2/c1-11-13(18)7-6-9-14(11)19-12(2)17(21)20-15-8-4-5-10-16(15)22-3/h4-10,12,19H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyINUCXBPHLQAURN-LBPRGKRZSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds5

About (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide

(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 2475334) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID2475334
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O2/c1-11-13(18)7-6-9-14(11)19-12(2)17(21)20-15-8-4-5-10-16(15)22-3/h4-10,12,19H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyINUCXBPHLQAURN-LBPRGKRZSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
CID 43086912
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide (CID 2475334) is (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)Nc1cccc(Cl)c1C.
What is the InChIKey of (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is INUCXBPHLQAURN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-13(18)7-6-9-14(11)19-12(2)17(21)20-15-8-4-5-10-16(15)22-3/h4-10,12,19H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide?
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 318.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2475334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).