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

C17H16Cl2N2O2 — CID 38957066

IUPAC4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)12-7-8-14(19)15(9-12)20-16(22)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyPZZCADUHXJVUGQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.88
Rot. Bonds4

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

4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 38957066) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID38957066
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)12-7-8-14(19)15(9-12)20-16(22)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyPZZCADUHXJVUGQ-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
CID 112822286
4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
CID 38955675
4-chloro-N,N-dimethyl-3-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 55603749
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998308
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide (CID 38957066) is 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PZZCADUHXJVUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)12-7-8-14(19)15(9-12)20-16(22)10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide?
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 351.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 38957066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).