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

C18H21ClN2O4 — CID 35960377

IUPAC(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C18H21ClN2O4/c1-11(18(22)21-12-5-7-13(23-2)8-6-12)20-15-9-14(19)16(24-3)10-17(15)25-4/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyYNNYPPZGOQFAKM-NSHDSACASA-N
MW364.83 g/mol
LogP3.80
Rot. Bonds7

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

(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 35960377) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID35960377
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1
InChIInChI=1S/C18H21ClN2O4/c1-11(18(22)21-12-5-7-13(23-2)8-6-12)20-15-9-14(19)16(24-3)10-17(15)25-4/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyYNNYPPZGOQFAKM-NSHDSACASA-N
XLogP3.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.80
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-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide (CID 35960377) is (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1.
What is the InChIKey of (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is YNNYPPZGOQFAKM-NSHDSACASA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11(18(22)21-12-5-7-13(23-2)8-6-12)20-15-9-14(19)16(24-3)10-17(15)25-4/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide?
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 364.83 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 35960377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).