5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide

C24H16ClF6NO2 — CID 159943922

IUPAC5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Cc1cccc(C(F)F)c1)Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C24H16ClF6NO2/c25-16-5-6-20(26)18(12-16)23(34)32-21-7-4-14(11-19(21)24(29,30)31)10-17(33)9-13-2-1-3-15(8-13)22(27)28/h1-8,11-12,22H,9-10H2,(H,32,34)
InChIKeyOBFYFGLDXGSRCR-UHFFFAOYSA-N
MW499.84 g/mol
LogP7.04
Rot. Bonds7

About 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide

5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide (PubChem CID 159943922) has the molecular formula C24H16ClF6NO2 and a molecular weight of 499.84 g/mol. Its IUPAC name is 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide
PubChem CID159943922
Molecular FormulaC24H16ClF6NO2
Molecular Weight499.84 g/mol
Exact Mass499.08
IUPAC Name5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Cc1cccc(C(F)F)c1)Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C24H16ClF6NO2/c25-16-5-6-20(26)18(12-16)23(34)32-21-7-4-14(11-19(21)24(29,30)31)10-17(33)9-13-2-1-3-15(8-13)22(27)28/h1-8,11-12,22H,9-10H2,(H,32,34)
InChIKeyOBFYFGLDXGSRCR-UHFFFAOYSA-N
XLogP7.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.84
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
CID 161306971
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 161210544
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]-2,5-difluorobenzamide
CID 71685412
1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
CID 148858620
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
1-bromo-3-[3-(difluoromethyl)phenyl]propan-2-one
CID 134616468
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide (CID 159943922) is 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide is O=C(Cc1cccc(C(F)F)c1)Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is OBFYFGLDXGSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF6NO2/c25-16-5-6-20(26)18(12-16)23(34)32-21-7-4-14(11-19(21)24(29,30)31)10-17(33)9-13-2-1-3-15(8-13)22(27)28/h1-8,11-12,22H,9-10H2,(H,32,34).
What are the key properties of 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide?
5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 499.84 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 159943922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).