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

C12H10Cl2N2 — CID 104834042

IUPAC3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7,16H,15H2
InChIKeyPJCCUSNMPGLEFX-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.32
Rot. Bonds2

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

3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine (PubChem CID 104834042) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
PubChem CID104834042
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7,16H,15H2
InChIKeyPJCCUSNMPGLEFX-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.32
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-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine (CID 104834042) is 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine is Nc1c(Cl)cccc1Nc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine?
The InChIKey is PJCCUSNMPGLEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7,16H,15H2.
What are the key properties of 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine?
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine has a molecular weight of 253.13 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 104834042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).