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

C22H17ClF3NO2 — CID 11235486

IUPAC[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCc1cc(OC(F)(F)F)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C22H17ClF3NO2/c1-13-5-3-4-6-17(13)21(28)18-9-7-15(12-19(18)23)27-20-10-8-16(11-14(20)2)29-22(24,25)26/h3-12,27H,1-2H3
InChIKeyGZBJRLCJOSEBTR-UHFFFAOYSA-N
MW419.83 g/mol
LogP6.83
Rot. Bonds5

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

[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone (PubChem CID 11235486) has the molecular formula C22H17ClF3NO2 and a molecular weight of 419.83 g/mol. Its IUPAC name is [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
PubChem CID11235486
Molecular FormulaC22H17ClF3NO2
Molecular Weight419.83 g/mol
Exact Mass419.09
IUPAC Name[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCc1cc(OC(F)(F)F)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C22H17ClF3NO2/c1-13-5-3-4-6-17(13)21(28)18-9-7-15(12-19(18)23)27-20-10-8-16(11-14(20)2)29-22(24,25)26/h3-12,27H,1-2H3
InChIKeyGZBJRLCJOSEBTR-UHFFFAOYSA-N
XLogP6.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.83
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
[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
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[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-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174459
[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
[4-(3-bromo-2-methylanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanone
CID 69341741
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone (CID 11235486) is [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone is Cc1cc(OC(F)(F)F)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone?
The InChIKey is GZBJRLCJOSEBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3NO2/c1-13-5-3-4-6-17(13)21(28)18-9-7-15(12-19(18)23)27-20-10-8-16(11-14(20)2)29-22(24,25)26/h3-12,27H,1-2H3.
What are the key properties of [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone?
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone has a molecular weight of 419.83 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 11235486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).