1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine

C18H14Cl2N2 — CID 22968513

IUPAC1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
SMILESClc1ccc(Nc2ccccc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14Cl2N2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h1-12,21-22H
InChIKeyBBHSRMYUEJZUDX-UHFFFAOYSA-N
MW329.23 g/mol
LogP6.48
Rot. Bonds4

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

1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine (PubChem CID 22968513) has the molecular formula C18H14Cl2N2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
PubChem CID22968513
Molecular FormulaC18H14Cl2N2
Molecular Weight329.23 g/mol
Exact Mass328.05
IUPAC Name1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
SMILESClc1ccc(Nc2ccccc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14Cl2N2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h1-12,21-22H
InChIKeyBBHSRMYUEJZUDX-UHFFFAOYSA-N
XLogP6.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
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CID 134868653
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
N-(4-chlorophenyl)-4-iodonaphthalen-1-amine
CID 170664494
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
CID 71505179
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
ethyl 2-(4-chloroanilino)benzoate
CID 82535773

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine (CID 22968513) is 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine is Clc1ccc(Nc2ccccc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine?
The InChIKey is BBHSRMYUEJZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h1-12,21-22H.
What are the key properties of 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine?
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine has a molecular weight of 329.23 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 22968513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).