N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide

C16H15BrClNO — CID 107573025

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCl)c2)cc(C)c1Br
InChIInChI=1S/C16H15BrClNO/c1-10-6-14(7-11(2)15(10)17)19-16(20)13-5-3-4-12(8-13)9-18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDTEVNXMQNMWGPS-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.06
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide

N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide (PubChem CID 107573025) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
PubChem CID107573025
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCl)c2)cc(C)c1Br
InChIInChI=1S/C16H15BrClNO/c1-10-6-14(7-11(2)15(10)17)19-16(20)13-5-3-4-12(8-13)9-18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDTEVNXMQNMWGPS-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)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-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide
CID 151471059

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide (CID 107573025) is N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide is Cc1cc(NC(=O)c2cccc(CCl)c2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide?
The InChIKey is DTEVNXMQNMWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-10-6-14(7-11(2)15(10)17)19-16(20)13-5-3-4-12(8-13)9-18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide?
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide is sourced from PubChem (CID 107573025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).