2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C25H25ClN2O3 — CID 18279234

IUPAC2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c1-17-8-9-18(2)22(14-17)27-24(29)15-28(3)25(30)21-6-4-5-7-23(21)31-16-19-10-12-20(26)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyGGSLIWWXLGZFRA-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.25
Rot. Bonds7

About 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 18279234) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID18279234
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c1-17-8-9-18(2)22(14-17)27-24(29)15-28(3)25(30)21-6-4-5-7-23(21)31-16-19-10-12-20(26)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyGGSLIWWXLGZFRA-UHFFFAOYSA-N
XLogP5.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 44275384
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 24687512
N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide
CID 122196558
5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
CID 875498
5-chloro-2-methoxy-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 2196445
4-chloro-2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
CID 5279325
N-[3-(methylcarbamoyl)phenyl]-2-phenylmethoxybenzamide
CID 8898031
N-(2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-4-chloro-2-methoxybenzamide
CID 18687392
N-(2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-5-chloro-2-methoxybenzamide
CID 18687428

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 18279234) is 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GGSLIWWXLGZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-17-8-9-18(2)22(14-17)27-24(29)15-28(3)25(30)21-6-4-5-7-23(21)31-16-19-10-12-20(26)13-11-19/h4-14H,15-16H2,1-3H3,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 436.94 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 18279234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).