3-(2-bromo-3-chloroanilino)butanenitrile

C10H10BrClN2 — CID 103478968

IUPAC3-(2-bromo-3-chloroanilino)butanenitrile
SMILESCC(CC#N)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H10BrClN2/c1-7(5-6-13)14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5H2,1H3
InChIKeyPLRKPRIJVJTNLX-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.82
Rot. Bonds3

About 3-(2-bromo-3-chloroanilino)butanenitrile

3-(2-bromo-3-chloroanilino)butanenitrile (PubChem CID 103478968) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 3-(2-bromo-3-chloroanilino)butanenitrile.

Molecular Properties

Compound Name3-(2-bromo-3-chloroanilino)butanenitrile
PubChem CID103478968
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name3-(2-bromo-3-chloroanilino)butanenitrile
SMILESCC(CC#N)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H10BrClN2/c1-7(5-6-13)14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5H2,1H3
InChIKeyPLRKPRIJVJTNLX-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-3-chloroanilino)butanenitrile 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-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
3-(2-iodoanilino)butanenitrile
CID 60912965
3-(2-chloro-5-iodoanilino)butanenitrile
CID 130499003
3-(2-phenylanilino)butanenitrile
CID 60913959
2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
4-bromo-2-(1-cyanopropan-2-ylamino)benzonitrile
CID 107798003
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
CID 130604497

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chloroanilino)butanenitrile?
The IUPAC name of 3-(2-bromo-3-chloroanilino)butanenitrile (CID 103478968) is 3-(2-bromo-3-chloroanilino)butanenitrile.
What is the SMILES notation for 3-(2-bromo-3-chloroanilino)butanenitrile?
The canonical SMILES for 3-(2-bromo-3-chloroanilino)butanenitrile is CC(CC#N)Nc1cccc(Cl)c1Br.
What is the InChIKey of 3-(2-bromo-3-chloroanilino)butanenitrile?
The InChIKey is PLRKPRIJVJTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-7(5-6-13)14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5H2,1H3.
What are the key properties of 3-(2-bromo-3-chloroanilino)butanenitrile?
3-(2-bromo-3-chloroanilino)butanenitrile has a molecular weight of 273.56 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chloroanilino)butanenitrile is sourced from PubChem (CID 103478968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).