3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide

C17H15BrClNO — CID 103982987

IUPAC3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H15BrClNO/c18-14-8-4-7-13(15(14)19)17(21)20-16(12-9-10-12)11-5-2-1-3-6-11/h1-8,12,16H,9-10H2,(H,20,21)
InChIKeyRTLHFDHXMCRUJG-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.98
Rot. Bonds4

About 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide

3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide (PubChem CID 103982987) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
PubChem CID103982987
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC Name3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H15BrClNO/c18-14-8-4-7-13(15(14)19)17(21)20-16(12-9-10-12)11-5-2-1-3-6-11/h1-8,12,16H,9-10H2,(H,20,21)
InChIKeyRTLHFDHXMCRUJG-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 985964
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
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3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
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N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
CID 61041207
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
(2S)-2-[(3-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
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4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide (CID 103982987) is 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide is O=C(NC(c1ccccc1)C1CC1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide?
The InChIKey is RTLHFDHXMCRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c18-14-8-4-7-13(15(14)19)17(21)20-16(12-9-10-12)11-5-2-1-3-6-11/h1-8,12,16H,9-10H2,(H,20,21).
What are the key properties of 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide?
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide has a molecular weight of 364.67 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide is sourced from PubChem (CID 103982987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).