4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide

C18H19BrN2O2 — CID 46582184

IUPAC4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12(16-4-3-5-17(19)10-16)21-18(23)15-8-6-14(7-9-15)11-20-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMCLSEMJAUMHZCG-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.58
Rot. Bonds5

About 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide

4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide (PubChem CID 46582184) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
PubChem CID46582184
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12(16-4-3-5-17(19)10-16)21-18(23)15-8-6-14(7-9-15)11-20-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMCLSEMJAUMHZCG-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]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

4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
4-(acetamidomethyl)-N-(1,1-diphenylpropan-2-yl)benzamide
CID 134054915
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545771
N-[4-[[1-(3-bromophenyl)ethylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 42958138
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide (CID 46582184) is 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide?
The InChIKey is MCLSEMJAUMHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(16-4-3-5-17(19)10-16)21-18(23)15-8-6-14(7-9-15)11-20-13(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide?
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 46582184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).