5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C19H18BrClN2O2 — CID 33352305

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)16-10-14(20)6-9-17(16)21/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24)
InChIKeyBQTNOQBXHQXUMY-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 33352305) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID33352305
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)16-10-14(20)6-9-17(16)21/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24)
InChIKeyBQTNOQBXHQXUMY-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
CID 38371276
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33349813

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 33352305) is 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is BQTNOQBXHQXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-22-18(24)13-4-2-12(3-5-13)11-23(15-7-8-15)19(25)16-10-14(20)6-9-17(16)21/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,24).
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 421.72 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 5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 33352305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).