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

C18H15ClN2 — CID 158558488

IUPAC2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESClc1cc(Nc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C18H15ClN2/c19-17-13-16(20-14-7-3-1-4-8-14)11-12-18(17)21-15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyHQOYRSJNOBGRQR-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.83
Rot. Bonds4

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

2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 158558488) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID158558488
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESClc1cc(Nc2ccccc2)ccc1Nc1ccccc1
InChIInChI=1S/C18H15ClN2/c19-17-13-16(20-14-7-3-1-4-8-14)11-12-18(17)21-15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyHQOYRSJNOBGRQR-UHFFFAOYSA-N
XLogP5.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine (CID 158558488) is 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine is Clc1cc(Nc2ccccc2)ccc1Nc1ccccc1.
What is the InChIKey of 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is HQOYRSJNOBGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-17-13-16(20-14-7-3-1-4-8-14)11-12-18(17)21-15-9-5-2-6-10-15/h1-13,20-21H.
What are the key properties of 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine?
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 294.79 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 158558488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).