3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine

C12H9Cl2FN2 — CID 29080237

IUPAC3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-8-2-1-3-10(16)12(8)17-11-5-4-7(15)6-9(11)14/h1-6,17H,16H2
InChIKeyBKCMFWUUSDEZFD-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.46
Rot. Bonds2

About 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine

3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine (PubChem CID 29080237) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
PubChem CID29080237
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-8-2-1-3-10(16)12(8)17-11-5-4-7(15)6-9(11)14/h1-6,17H,16H2
InChIKeyBKCMFWUUSDEZFD-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
CID 107609082
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
CID 115550702
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine (CID 29080237) is 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine is Nc1cccc(Cl)c1Nc1ccc(F)cc1Cl.
What is the InChIKey of 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is BKCMFWUUSDEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c13-8-2-1-3-10(16)12(8)17-11-5-4-7(15)6-9(11)14/h1-6,17H,16H2.
What are the key properties of 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine?
3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine has a molecular weight of 271.12 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 29080237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).