(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone

C20H16ClNO — CID 143211334

IUPAC(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)c(N)cc1-c1ccccc1
InChIInChI=1S/C20H16ClNO/c1-13-11-17(20(23)15-9-5-6-10-18(15)21)19(22)12-16(13)14-7-3-2-4-8-14/h2-12H,22H2,1H3
InChIKeyGANADLLKZLJRIH-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.13
Rot. Bonds3

About (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone

(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone (PubChem CID 143211334) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone
PubChem CID143211334
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)c(N)cc1-c1ccccc1
InChIInChI=1S/C20H16ClNO/c1-13-11-17(20(23)15-9-5-6-10-18(15)21)19(22)12-16(13)14-7-3-2-4-8-14/h2-12H,22H2,1H3
InChIKeyGANADLLKZLJRIH-UHFFFAOYSA-N
XLogP5.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
CID 18069
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
2,5-dimethyl-4-phenylbenzamide
CID 174491618
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
CID 6429540
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
methyl 2-amino-4-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
carbamic acid;3-methyl-4-phenylaniline
CID 175552466
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone (CID 143211334) is (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone is Cc1cc(C(=O)c2ccccc2Cl)c(N)cc1-c1ccccc1.
What is the InChIKey of (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone?
The InChIKey is GANADLLKZLJRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-13-11-17(20(23)15-9-5-6-10-18(15)21)19(22)12-16(13)14-7-3-2-4-8-14/h2-12H,22H2,1H3.
What are the key properties of (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone?
(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone has a molecular weight of 321.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 143211334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).