2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine

C12H9ClF2N2 — CID 107526804

IUPAC2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H9ClF2N2/c13-9-3-1-7(14)5-11(9)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2
InChIKeyCZXJSKKQKJLVMA-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.94
Rot. Bonds2

About 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine

2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 107526804) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
PubChem CID107526804
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC Name2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H9ClF2N2/c13-9-3-1-7(14)5-11(9)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2
InChIKeyCZXJSKKQKJLVMA-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine 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

4-amino-3-(2-chloro-5-fluoroanilino)-N-ethylbenzamide
CID 107526839
1-N-(2-chloro-5-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 107526907
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
2-bromo-1-N-(2-chloro-5-fluorophenyl)-5-methylbenzene-1,4-diamine
CID 114048359
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
CID 115124059
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine (CID 107526804) is 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine is Nc1ccc(F)cc1Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is CZXJSKKQKJLVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-9-3-1-7(14)5-11(9)17-12-6-8(15)2-4-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine?
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 254.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 107526804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).