3-bromo-N-butyl-5-chloro-N-methylbenzamide

C12H15BrClNO — CID 110415930

IUPAC3-bromo-N-butyl-5-chloro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNO/c1-3-4-5-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3
InChIKeyYWATYIAFTLXWLZ-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.97
Rot. Bonds4

About 3-bromo-N-butyl-5-chloro-N-methylbenzamide

3-bromo-N-butyl-5-chloro-N-methylbenzamide (PubChem CID 110415930) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 3-bromo-N-butyl-5-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-5-chloro-N-methylbenzamide
PubChem CID110415930
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name3-bromo-N-butyl-5-chloro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNO/c1-3-4-5-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3
InChIKeyYWATYIAFTLXWLZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-butyl-5-chloro-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

3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
2-bromo-5-[butyl(methyl)carbamoyl]-3-chlorobenzenesulfonyl chloride
CID 81295735
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-5-chloro-N-methylbenzamide?
The IUPAC name of 3-bromo-N-butyl-5-chloro-N-methylbenzamide (CID 110415930) is 3-bromo-N-butyl-5-chloro-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-butyl-5-chloro-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-butyl-5-chloro-N-methylbenzamide is CCCCN(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-butyl-5-chloro-N-methylbenzamide?
The InChIKey is YWATYIAFTLXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-3-4-5-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-butyl-5-chloro-N-methylbenzamide?
3-bromo-N-butyl-5-chloro-N-methylbenzamide has a molecular weight of 304.62 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-5-chloro-N-methylbenzamide is sourced from PubChem (CID 110415930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).