3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide

C12H13BrClNO — CID 103842108

IUPAC3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H13BrClNO/c1-7-4-9(5-7)15-12(16)8-2-3-11(14)10(13)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)
InChIKeyQZVFZDSRUVUTHF-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.63
Rot. Bonds2

About 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide

3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide (PubChem CID 103842108) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
PubChem CID103842108
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H13BrClNO/c1-7-4-9(5-7)15-12(16)8-2-3-11(14)10(13)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)
InChIKeyQZVFZDSRUVUTHF-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-chloro-N-(3-methylcyclobutyl)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

3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467373

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide (CID 103842108) is 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide is CC1CC(NC(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide?
The InChIKey is QZVFZDSRUVUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-7-4-9(5-7)15-12(16)8-2-3-11(14)10(13)6-8/h2-3,6-7,9H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide?
3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide has a molecular weight of 302.60 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide is sourced from PubChem (CID 103842108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).