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

C18H18Cl2N2O2 — CID 110633818

IUPAC2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)14-9-8-13(11-16(14)20)21-17(23)10-7-12-5-3-4-6-15(12)19/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,23)
InChIKeyUJAIZBQRFZFPEA-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.27
Rot. Bonds5

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

2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 110633818) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
PubChem CID110633818
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)14-9-8-13(11-16(14)20)21-17(23)10-7-12-5-3-4-6-15(12)19/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,23)
InChIKeyUJAIZBQRFZFPEA-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 34745595
2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110314461
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
2-chloro-N,N-dimethyl-4-[[(3S)-3-pyrrol-1-ylbutanoyl]amino]benzamide
CID 97214312
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 110314454
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide (CID 110633818) is 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is UJAIZBQRFZFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)14-9-8-13(11-16(14)20)21-17(23)10-7-12-5-3-4-6-15(12)19/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 110633818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).