N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide

C18H19ClN2O2 — CID 9412782

IUPACN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAEIGBNYWYFFBIW-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9412782) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID9412782
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAEIGBNYWYFFBIW-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 9412782) is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1C.
What is the InChIKey of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is AEIGBNYWYFFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9412782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).