[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone

C21H16ClF2NO — CID 22174560

IUPAC[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccccc2C(F)F)cc1Cl
InChIInChI=1S/C21H16ClF2NO/c1-13-6-2-3-7-15(13)20(26)16-11-10-14(12-18(16)22)25-19-9-5-4-8-17(19)21(23)24/h2-12,21,25H,1H3
InChIKeyPVYCUEDTOJBESW-UHFFFAOYSA-N
MW371.81 g/mol
LogP6.56
Rot. Bonds5

About [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone

[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone (PubChem CID 22174560) has the molecular formula C21H16ClF2NO and a molecular weight of 371.81 g/mol. Its IUPAC name is [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
PubChem CID22174560
Molecular FormulaC21H16ClF2NO
Molecular Weight371.81 g/mol
Exact Mass371.09
IUPAC Name[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccccc2C(F)F)cc1Cl
InChIInChI=1S/C21H16ClF2NO/c1-13-6-2-3-7-15(13)20(26)16-11-10-14(12-18(16)22)25-19-9-5-4-8-17(19)21(23)24/h2-12,21,25H,1H3
InChIKeyPVYCUEDTOJBESW-UHFFFAOYSA-N
XLogP6.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.81
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 10294143
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602
[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
CID 10292905

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone (CID 22174560) is [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Nc2ccccc2C(F)F)cc1Cl.
What is the InChIKey of [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The InChIKey is PVYCUEDTOJBESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2NO/c1-13-6-2-3-7-15(13)20(26)16-11-10-14(12-18(16)22)25-19-9-5-4-8-17(19)21(23)24/h2-12,21,25H,1H3.
What are the key properties of [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone?
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone has a molecular weight of 371.81 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 22174560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).