3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide

C12H13BrClNO — CID 103841594

IUPAC3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyYAFZVZGQXRKYJG-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide

3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide (PubChem CID 103841594) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
PubChem CID103841594
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyYAFZVZGQXRKYJG-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide 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-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
4-[(3-bromo-4-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107997975
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
3-bromo-4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)benzamide
CID 107999423
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide (CID 103841594) is 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide is CCN(C(=O)c1ccc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
The InChIKey is YAFZVZGQXRKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-2-15(9-4-5-9)12(16)8-3-6-11(14)10(13)7-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide?
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide has a molecular weight of 302.60 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide is sourced from PubChem (CID 103841594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).