4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide

C18H18BrNO — CID 102850932

IUPAC4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(CBr)cc1
InChIInChI=1S/C18H18BrNO/c19-12-13-6-8-16(9-7-13)18(21)20-17(15-10-11-15)14-4-2-1-3-5-14/h1-9,15,17H,10-12H2,(H,20,21)
InChIKeyMMCDOUFSUYLQQB-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.46
Rot. Bonds5

About 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide

4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide (PubChem CID 102850932) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
PubChem CID102850932
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(CBr)cc1
InChIInChI=1S/C18H18BrNO/c19-12-13-6-8-16(9-7-13)18(21)20-17(15-10-11-15)14-4-2-1-3-5-14/h1-9,15,17H,10-12H2,(H,20,21)
InChIKeyMMCDOUFSUYLQQB-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide 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

N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30095392
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide (CID 102850932) is 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide is O=C(NC(c1ccccc1)C1CC1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide?
The InChIKey is MMCDOUFSUYLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-12-13-6-8-16(9-7-13)18(21)20-17(15-10-11-15)14-4-2-1-3-5-14/h1-9,15,17H,10-12H2,(H,20,21).
What are the key properties of 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide?
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide has a molecular weight of 344.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide is sourced from PubChem (CID 102850932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).