(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone

C13H11ClN2O — CID 86124935

IUPAC(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C13H11ClN2O/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7H,15-16H2
InChIKeyVNKAHRDZBXEKAG-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.74
Rot. Bonds2

About (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone

(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone (PubChem CID 86124935) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
PubChem CID86124935
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(N)c2Cl)c1
InChIInChI=1S/C13H11ClN2O/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7H,15-16H2
InChIKeyVNKAHRDZBXEKAG-UHFFFAOYSA-N
XLogP2.74
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
CID 163893903
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
6-(3-amino-2-chlorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 115937345

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone (CID 86124935) is (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone is Nc1cccc(C(=O)c2cccc(N)c2Cl)c1.
What is the InChIKey of (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone?
The InChIKey is VNKAHRDZBXEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7H,15-16H2.
What are the key properties of (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone?
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone has a molecular weight of 246.70 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(3-aminophenyl)methanone is sourced from PubChem (CID 86124935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).