2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile

C14H9Br2FN2 — CID 81436975

IUPAC2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H9Br2FN2/c15-10-6-5-9(7-12(10)17)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H
InChIKeySXLGDSRXBKPCQB-UHFFFAOYSA-N
MW384.05 g/mol
LogP5.03
Rot. Bonds3

About 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile

2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile (PubChem CID 81436975) has the molecular formula C14H9Br2FN2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
PubChem CID81436975
Molecular FormulaC14H9Br2FN2
Molecular Weight384.05 g/mol
Exact Mass381.91
IUPAC Name2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H9Br2FN2/c15-10-6-5-9(7-12(10)17)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H
InChIKeySXLGDSRXBKPCQB-UHFFFAOYSA-N
XLogP5.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile 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-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887451
3-[(2-bromoanilino)-cyanomethyl]benzonitrile
CID 54886944
2-(2-bromoanilino)-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
CID 61006456
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567
2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 113457122
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(2-bromoanilino)-2-(3-propoxyphenyl)acetonitrile
CID 62496139
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157
2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
2-(2-bromoanilino)-2-[2-(trifluoromethyl)phenyl]acetonitrile
CID 61005001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile?
The IUPAC name of 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile (CID 81436975) is 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile is N#CC(Nc1ccccc1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile?
The InChIKey is SXLGDSRXBKPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2/c15-10-6-5-9(7-12(10)17)14(8-18)19-13-4-2-1-3-11(13)16/h1-7,14,19H.
What are the key properties of 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile?
2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile has a molecular weight of 384.05 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile is sourced from PubChem (CID 81436975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).