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

C17H17ClN2O2 — CID 9411325

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBIIBLJPKPLJUDY-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.33
Rot. Bonds4

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

N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9411325) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID9411325
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBIIBLJPKPLJUDY-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112997491
N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24543962
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 9411325) is N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Cl)cc1C.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is BIIBLJPKPLJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-7-8-13(9-12(11)2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.33, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 9411325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).