2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide

C19H21ClN2O3 — CID 175825151

IUPAC2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1c(OC)ccc(C(N)=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-4-8-16(23)22-18-15(25-2)10-9-14(19(21)24)17(18)12-6-5-7-13(20)11-12/h5-7,9-11H,3-4,8H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyLRGGVTLYYDMARF-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.24
Rot. Bonds7

About 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide

2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide (PubChem CID 175825151) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide
PubChem CID175825151
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1c(OC)ccc(C(N)=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-4-8-16(23)22-18-15(25-2)10-9-14(19(21)24)17(18)12-6-5-7-13(20)11-12/h5-7,9-11H,3-4,8H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyLRGGVTLYYDMARF-UHFFFAOYSA-N
XLogP4.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
4-chloro-2-methoxybenzamide
CID 19741766
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
CID 7693344
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
2,6-dimethoxy-N-[3-(pentanoylamino)phenyl]benzamide
CID 21229671
(4-aminophenyl)-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methanone;[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]urea
CID 159705006
methyl 4-(3-chlorophenyl)-2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate
CID 19211750
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide (CID 175825151) is 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide is CCCCC(=O)Nc1c(OC)ccc(C(N)=O)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide?
The InChIKey is LRGGVTLYYDMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-4-8-16(23)22-18-15(25-2)10-9-14(19(21)24)17(18)12-6-5-7-13(20)11-12/h5-7,9-11H,3-4,8H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide?
2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide has a molecular weight of 360.84 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methoxy-3-(pentanoylamino)benzamide is sourced from PubChem (CID 175825151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).