(3-aminophenyl)-(3-chlorophenyl)methanone

C13H10ClNO — CID 82115907

IUPAC(3-aminophenyl)-(3-chlorophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClNO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,15H2
InChIKeyLYNKKMLCMJQPJF-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.15
Rot. Bonds2

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

(3-aminophenyl)-(3-chlorophenyl)methanone (PubChem CID 82115907) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is (3-aminophenyl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3-chlorophenyl)methanone
PubChem CID82115907
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name(3-aminophenyl)-(3-chlorophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClNO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,15H2
InChIKeyLYNKKMLCMJQPJF-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
3-(3-aminobenzoyl)benzoic acid
CID 18974175
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
1-(3-aminophenyl)-2,2-dichloroethanone
CID 45081008
(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 155817920
CID 24798848
CID 24798848
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3-chlorophenyl)methanone?
The IUPAC name of (3-aminophenyl)-(3-chlorophenyl)methanone (CID 82115907) is (3-aminophenyl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3-chlorophenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(3-chlorophenyl)methanone is Nc1cccc(C(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-aminophenyl)-(3-chlorophenyl)methanone?
The InChIKey is LYNKKMLCMJQPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,15H2.
What are the key properties of (3-aminophenyl)-(3-chlorophenyl)methanone?
(3-aminophenyl)-(3-chlorophenyl)methanone has a molecular weight of 231.68 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 82115907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).