5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

C17H17BrClNO — CID 18209420

IUPAC5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)c(C)c1
InChIInChI=1S/C17H17BrClNO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-9-14(18)6-7-16(15)19/h4-9H,10H2,1-3H3
InChIKeyLEZFFWPPFJXZFE-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide

5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (PubChem CID 18209420) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
PubChem CID18209420
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)c(C)c1
InChIInChI=1S/C17H17BrClNO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-9-14(18)6-7-16(15)19/h4-9H,10H2,1-3H3
InChIKeyLEZFFWPPFJXZFE-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide 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

2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 33045453
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide (CID 18209420) is 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)c(C)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is LEZFFWPPFJXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-11-4-5-13(12(2)8-11)10-20(3)17(21)15-9-14(18)6-7-16(15)19/h4-9H,10H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide?
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 366.69 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18209420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).