N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide

C18H18BrNO — CID 102850934

IUPACN-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
SMILESO=C(c1ccc(CBr)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H18BrNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyVJRHRCVBQLKVEO-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.39
Rot. Bonds5

About N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide

N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide (PubChem CID 102850934) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
PubChem CID102850934
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
SMILESO=C(c1ccc(CBr)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H18BrNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyVJRHRCVBQLKVEO-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-benzyl-N-(oxetan-3-yl)benzamide
CID 166264927
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide?
The IUPAC name of N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide (CID 102850934) is N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide.
What is the SMILES notation for N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide?
The canonical SMILES for N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide is O=C(c1ccc(CBr)cc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide?
The InChIKey is VJRHRCVBQLKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide?
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide has a molecular weight of 344.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide is sourced from PubChem (CID 102850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).