(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride

C13H12Cl2N2O — CID 6429540

IUPAC(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
SMILESCl.Nc1ccc(N)c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2O.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7H,15-16H2;1H
InChIKeyBRGZKUGWIIKQJT-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.16
Rot. Bonds2

About (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride

(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride (PubChem CID 6429540) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
PubChem CID6429540
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
SMILESCl.Nc1ccc(N)c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2O.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7H,15-16H2;1H
InChIKeyBRGZKUGWIIKQJT-UHFFFAOYSA-N
XLogP3.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
5-amino-2-chlorobenzoyl chloride
CID 86092283
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone
CID 143211334

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride?
The IUPAC name of (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride (CID 6429540) is (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride.
What is the SMILES notation for (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride?
The canonical SMILES for (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride is Cl.Nc1ccc(N)c(C(=O)c2ccccc2Cl)c1.
What is the InChIKey of (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride?
The InChIKey is BRGZKUGWIIKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.ClH/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16;/h1-7H,15-16H2;1H.
What are the key properties of (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride?
(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride has a molecular weight of 283.16 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride is sourced from PubChem (CID 6429540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).