N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide

C18H19ClN2O2 — CID 2454779

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-4-9-16(13(2)10-12)18(23)21(3)11-17(22)20-15-7-5-14(19)6-8-15/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyWMPZUFFKKLJVRM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide (PubChem CID 2454779) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
PubChem CID2454779
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-4-9-16(13(2)10-12)18(23)21(3)11-17(22)20-15-7-5-14(19)6-8-15/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyWMPZUFFKKLJVRM-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
2-hydroxy-N,3,4-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 87011131
5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
CID 17431566
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
N-(4-chlorophenyl)-2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167331
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 9426396
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide (CID 2454779) is N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The InChIKey is WMPZUFFKKLJVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-4-9-16(13(2)10-12)18(23)21(3)11-17(22)20-15-7-5-14(19)6-8-15/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide is sourced from PubChem (CID 2454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).