5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide

C18H16BrClN2O2 — CID 38371276

IUPAC5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1
InChIInChI=1S/C18H16BrClN2O2/c19-13-5-8-16(20)15(9-13)18(24)22(14-6-7-14)10-11-1-3-12(4-2-11)17(21)23/h1-5,8-9,14H,6-7,10H2,(H2,21,23)
InChIKeyNDBQMMXJWXXIRR-UHFFFAOYSA-N
MW407.70 g/mol
LogP4.01
Rot. Bonds5

About 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide

5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide (PubChem CID 38371276) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
PubChem CID38371276
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1
InChIInChI=1S/C18H16BrClN2O2/c19-13-5-8-16(20)15(9-13)18(24)22(14-6-7-14)10-11-1-3-12(4-2-11)17(21)23/h1-5,8-9,14H,6-7,10H2,(H2,21,23)
InChIKeyNDBQMMXJWXXIRR-UHFFFAOYSA-N
XLogP4.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 30806659
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide
CID 63524947
4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
CID 46579429
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide (CID 38371276) is 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide is NC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1.
What is the InChIKey of 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is NDBQMMXJWXXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c19-13-5-8-16(20)15(9-13)18(24)22(14-6-7-14)10-11-1-3-12(4-2-11)17(21)23/h1-5,8-9,14H,6-7,10H2,(H2,21,23).
What are the key properties of 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide?
5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 407.70 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 38371276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).