2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide

C16H15ClN2O2 — CID 8698586

IUPAC2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(2)16(21)11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,20)
InChIKeyBPXCKVZSOBBUOS-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 8698586) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID8698586
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-19(2)16(21)11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,20)
InChIKeyBPXCKVZSOBBUOS-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide (CID 8698586) is 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide is CN(C)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is BPXCKVZSOBBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(2)16(21)11-7-9-12(10-8-11)18-15(20)13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide?
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 8698586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).