(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide

C19H21ClN2O4 — CID 35960485

IUPAC(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
SMILESCOc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-11(19(24)22-15-8-6-5-7-13(15)12(2)23)21-16-9-14(20)17(25-3)10-18(16)26-4/h5-11,21H,1-4H3,(H,22,24)/t11-/m0/s1
InChIKeyRDLOLLQHIMNWJI-NSHDSACASA-N
MW376.84 g/mol
LogP4.00
Rot. Bonds7

About (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide

(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide (PubChem CID 35960485) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
PubChem CID35960485
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
SMILESCOc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-11(19(24)22-15-8-6-5-7-13(15)12(2)23)21-16-9-14(20)17(25-3)10-18(16)26-4/h5-11,21H,1-4H3,(H,22,24)/t11-/m0/s1
InChIKeyRDLOLLQHIMNWJI-NSHDSACASA-N
XLogP4.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 8762076
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide (CID 35960485) is (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide is COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)cc1Cl.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The InChIKey is RDLOLLQHIMNWJI-NSHDSACASA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-11(19(24)22-15-8-6-5-7-13(15)12(2)23)21-16-9-14(20)17(25-3)10-18(16)26-4/h5-11,21H,1-4H3,(H,22,24)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide has a molecular weight of 376.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 35960485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).