2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide

C19H23ClN2O4 — CID 4883000

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C19H23ClN2O4/c1-12(19(23)21-11-13-5-7-14(24-2)8-6-13)22-16-10-17(25-3)15(20)9-18(16)26-4/h5-10,12,22H,11H2,1-4H3,(H,21,23)
InChIKeyXJKXKAYELNWMRR-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.48
Rot. Bonds8

About 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide

2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 4883000) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID4883000
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C19H23ClN2O4/c1-12(19(23)21-11-13-5-7-14(24-2)8-6-13)22-16-10-17(25-3)15(20)9-18(16)26-4/h5-10,12,22H,11H2,1-4H3,(H,21,23)
InChIKeyXJKXKAYELNWMRR-UHFFFAOYSA-N
XLogP3.48
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 8008872
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7777360
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide (CID 4883000) is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is XJKXKAYELNWMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-12(19(23)21-11-13-5-7-14(24-2)8-6-13)22-16-10-17(25-3)15(20)9-18(16)26-4/h5-10,12,22H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 378.86 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4883000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).