4-chloro-2-N-phenylbenzene-1,2-diamine

C12H11ClN2 — CID 526554

IUPAC4-chloro-2-N-phenylbenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H11ClN2/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyYRPYUECFYIYBGG-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-N-phenylbenzene-1,2-diamine

4-chloro-2-N-phenylbenzene-1,2-diamine (PubChem CID 526554) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-phenylbenzene-1,2-diamine
PubChem CID526554
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-2-N-phenylbenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H11ClN2/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyYRPYUECFYIYBGG-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.67
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

4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
CID 115469018
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 115468772
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 115468540
[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
CID 176707049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-phenylbenzene-1,2-diamine (CID 526554) is 4-chloro-2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-phenylbenzene-1,2-diamine is Nc1ccc(Cl)cc1Nc1ccccc1.
What is the InChIKey of 4-chloro-2-N-phenylbenzene-1,2-diamine?
The InChIKey is YRPYUECFYIYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,14H2.
What are the key properties of 4-chloro-2-N-phenylbenzene-1,2-diamine?
4-chloro-2-N-phenylbenzene-1,2-diamine has a molecular weight of 218.69 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 526554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).