4-N-(2,3-dichlorophenyl)benzene-1,4-diamine

C12H10Cl2N2 — CID 4764118

IUPAC4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-2-1-3-11(12(10)14)16-9-6-4-8(15)5-7-9/h1-7,16H,15H2
InChIKeyIOFPWCLWNLTJNE-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.32
Rot. Bonds2

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

4-N-(2,3-dichlorophenyl)benzene-1,4-diamine (PubChem CID 4764118) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
PubChem CID4764118
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C12H10Cl2N2/c13-10-2-1-3-11(12(10)14)16-9-6-4-8(15)5-7-9/h1-7,16H,15H2
InChIKeyIOFPWCLWNLTJNE-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
2,3-dichloro-N-(3,4-difluorophenyl)aniline
CID 82536860
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
methyl N-[4-(2,3-dichloroanilino)phenyl]carbamate
CID 112989692
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
CID 65343667
N-[4-(aminomethyl)phenyl]-2,3-dichloroaniline;2,2,2-trifluoroacetic acid
CID 89497330

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine (CID 4764118) is 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine?
The InChIKey is IOFPWCLWNLTJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-2-1-3-11(12(10)14)16-9-6-4-8(15)5-7-9/h1-7,16H,15H2.
What are the key properties of 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine?
4-N-(2,3-dichlorophenyl)benzene-1,4-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 4-N-(2,3-dichlorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 4764118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).