N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

C19H21ClN2O4 — CID 51310881

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(OC)c(NC(=O)CCNC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-25-16-12-17(26-2)15(11-14(16)20)22-18(23)8-9-21-19(24)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMEKLBCVLHNQDSF-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.04
Rot. Bonds8

About N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 51310881) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID51310881
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(OC)c(NC(=O)CCNC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-25-16-12-17(26-2)15(11-14(16)20)22-18(23)8-9-21-19(24)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMEKLBCVLHNQDSF-UHFFFAOYSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
3-[[2-(4-aminophenyl)acetyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119815061
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
1-(2-benzylsulfanylethyl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 3817217
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
(2S)-2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119341627

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (CID 51310881) is N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is COc1cc(OC)c(NC(=O)CCNC(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is MEKLBCVLHNQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-16-12-17(26-2)15(11-14(16)20)22-18(23)8-9-21-19(24)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 376.84 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 51310881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).