[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone

C26H20ClNO — CID 10111445

IUPAC[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2cccc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C26H20ClNO/c1-18-8-5-6-13-23(18)26(29)24-15-14-22(17-25(24)27)28-21-12-7-11-20(16-21)19-9-3-2-4-10-19/h2-17,28H,1H3
InChIKeyXHOKVTACRDQJBF-UHFFFAOYSA-N
MW397.91 g/mol
LogP7.29
Rot. Bonds5

About [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone

[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone (PubChem CID 10111445) has the molecular formula C26H20ClNO and a molecular weight of 397.91 g/mol. Its IUPAC name is [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
PubChem CID10111445
Molecular FormulaC26H20ClNO
Molecular Weight397.91 g/mol
Exact Mass397.12
IUPAC Name[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2cccc(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C26H20ClNO/c1-18-8-5-6-13-23(18)26(29)24-15-14-22(17-25(24)27)28-21-12-7-11-20(16-21)19-9-3-2-4-10-19/h2-17,28H,1H3
InChIKeyXHOKVTACRDQJBF-UHFFFAOYSA-N
XLogP7.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
2-[3-chloro-4-(2-methylbenzoyl)anilino]-N-phenyloctanamide
CID 91022405
[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 10294143
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone (CID 10111445) is [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Nc2cccc(-c3ccccc3)c2)cc1Cl.
What is the InChIKey of [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone?
The InChIKey is XHOKVTACRDQJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO/c1-18-8-5-6-13-23(18)26(29)24-15-14-22(17-25(24)27)28-21-12-7-11-20(16-21)19-9-3-2-4-10-19/h2-17,28H,1H3.
What are the key properties of [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone?
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone has a molecular weight of 397.91 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 10111445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).