(3-aminophenyl)-(2,3-dichlorophenyl)methanone

C13H9Cl2NO — CID 116548558

IUPAC(3-aminophenyl)-(2,3-dichlorophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H,16H2
InChIKeyUOUAMOZLRTWDFA-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.81
Rot. Bonds2

About (3-aminophenyl)-(2,3-dichlorophenyl)methanone

(3-aminophenyl)-(2,3-dichlorophenyl)methanone (PubChem CID 116548558) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (3-aminophenyl)-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2,3-dichlorophenyl)methanone
PubChem CID116548558
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(3-aminophenyl)-(2,3-dichlorophenyl)methanone
SMILESNc1cccc(C(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H,16H2
InChIKeyUOUAMOZLRTWDFA-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.81
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-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 107502317
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
N-(3-aminobenzoyl)-2-chlorobenzamide
CID 91252529
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,3-dichlorophenyl)methanone?
The IUPAC name of (3-aminophenyl)-(2,3-dichlorophenyl)methanone (CID 116548558) is (3-aminophenyl)-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2,3-dichlorophenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(2,3-dichlorophenyl)methanone is Nc1cccc(C(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of (3-aminophenyl)-(2,3-dichlorophenyl)methanone?
The InChIKey is UOUAMOZLRTWDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-11-6-2-5-10(12(11)15)13(17)8-3-1-4-9(16)7-8/h1-7H,16H2.
What are the key properties of (3-aminophenyl)-(2,3-dichlorophenyl)methanone?
(3-aminophenyl)-(2,3-dichlorophenyl)methanone has a molecular weight of 266.13 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 116548558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).