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

C12H10Cl2N2 — CID 29067270

IUPAC3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-8-4-1-2-7-11(8)16-12-9(14)5-3-6-10(12)15/h1-7,16H,15H2
InChIKeyPDUXGEXYXIFRPU-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.32
Rot. Bonds2

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

3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine (PubChem CID 29067270) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
PubChem CID29067270
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-8-4-1-2-7-11(8)16-12-9(14)5-3-6-10(12)15/h1-7,16H,15H2
InChIKeyPDUXGEXYXIFRPU-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-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237
1-N-(2-chlorophenyl)naphthalene-1,5-diamine
CID 134490531
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
2,6-dichloro-N-(2-iodophenyl)aniline
CID 175620459
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
3-chloro-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115126889
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 29066258
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine (CID 29067270) is 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine is Nc1cccc(Cl)c1Nc1ccccc1Cl.
What is the InChIKey of 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine?
The InChIKey is PDUXGEXYXIFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-8-4-1-2-7-11(8)16-12-9(14)5-3-6-10(12)15/h1-7,16H,15H2.
What are the key properties of 3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine?
3-chloro-2-N-(2-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-2-N-(2-chlorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).