3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide

C17H17ClN2O2 — CID 17231829

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)17(22)13-4-3-5-15(11-13)19-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyZHWBDQNANCBAAX-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.22
Rot. Bonds4

About 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 17231829) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID17231829
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)17(22)13-4-3-5-15(11-13)19-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyZHWBDQNANCBAAX-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[(4-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232054
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide (CID 17231829) is 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZHWBDQNANCBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-20(2)17(22)13-4-3-5-15(11-13)19-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 17231829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).