2-chloro-4-[4-(chloroamino)phenyl]aniline

C12H10Cl2N2 — CID 54119769

IUPAC2-chloro-4-[4-(chloroamino)phenyl]aniline
SMILESNc1ccc(-c2ccc(NCl)cc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-11-7-9(3-6-12(11)15)8-1-4-10(16-14)5-2-8/h1-7,16H,15H2
InChIKeyNMVBUNOEWFHAET-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-4-[4-(chloroamino)phenyl]aniline

2-chloro-4-[4-(chloroamino)phenyl]aniline (PubChem CID 54119769) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-chloro-4-[4-(chloroamino)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[4-(chloroamino)phenyl]aniline
PubChem CID54119769
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2-chloro-4-[4-(chloroamino)phenyl]aniline
SMILESNc1ccc(-c2ccc(NCl)cc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-11-7-9(3-6-12(11)15)8-1-4-10(16-14)5-2-8/h1-7,16H,15H2
InChIKeyNMVBUNOEWFHAET-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
3,3'-Dichlorobenzidine
CID 7070
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
2,2',5,5'-Tetrachlorobenzidine
CID 27465
2-Chloro-p-toluidine
CID 12007
Benzidine dihydrochloride
CID 10754
4-Amino-4'-chlorodiphenyl
CID 8675
2-Chloro-4-trifluoromethylaniline
CID 162001
2-Amino-4'-chlorobiphenyl
CID 262261
Benzidine hydrochloride
CID 61741
2,2'-Dichlorobenzidine
CID 66538
3,5-Dichlorobenzidine
CID 124990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(chloroamino)phenyl]aniline?
The IUPAC name of 2-chloro-4-[4-(chloroamino)phenyl]aniline (CID 54119769) is 2-chloro-4-[4-(chloroamino)phenyl]aniline.
What is the SMILES notation for 2-chloro-4-[4-(chloroamino)phenyl]aniline?
The canonical SMILES for 2-chloro-4-[4-(chloroamino)phenyl]aniline is Nc1ccc(-c2ccc(NCl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(chloroamino)phenyl]aniline?
The InChIKey is NMVBUNOEWFHAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-7-9(3-6-12(11)15)8-1-4-10(16-14)5-2-8/h1-7,16H,15H2.
What are the key properties of 2-chloro-4-[4-(chloroamino)phenyl]aniline?
2-chloro-4-[4-(chloroamino)phenyl]aniline has a molecular weight of 253.13 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(chloroamino)phenyl]aniline is sourced from PubChem (CID 54119769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).