N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide

C16H15ClN2O2 — CID 9411308

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-5-4-6-12(9-11)16(21)18-10-15(20)19-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCCOVBDRDTJYBPV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide

N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 9411308) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID9411308
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-5-4-6-12(9-11)16(21)18-10-15(20)19-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCCOVBDRDTJYBPV-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112997768
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide (CID 9411308) is N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is CCOVBDRDTJYBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-5-4-6-12(9-11)16(21)18-10-15(20)19-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 302.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9411308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).