2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide

C24H21F2NO2 — CID 161125503

IUPAC2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
SMILESCc1cccc(CC(=O)Cc2cc(NC(=O)c3cc(C)ccc3F)ccc2F)c1
InChIInChI=1S/C24H21F2NO2/c1-15-4-3-5-17(10-15)12-20(28)14-18-13-19(7-9-22(18)25)27-24(29)21-11-16(2)6-8-23(21)26/h3-11,13H,12,14H2,1-2H3,(H,27,29)
InChIKeyULMVHVILOGGSRW-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.19
Rot. Bonds6

About 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide

2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide (PubChem CID 161125503) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
PubChem CID161125503
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
SMILESCc1cccc(CC(=O)Cc2cc(NC(=O)c3cc(C)ccc3F)ccc2F)c1
InChIInChI=1S/C24H21F2NO2/c1-15-4-3-5-17(10-15)12-20(28)14-18-13-19(7-9-22(18)25)27-24(29)21-11-16(2)6-8-23(21)26/h3-11,13H,12,14H2,1-2H3,(H,27,29)
InChIKeyULMVHVILOGGSRW-UHFFFAOYSA-N
XLogP5.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
CID 153093321
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164
2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
CID 161306971
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62515692
2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide
CID 163640166
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide (CID 161125503) is 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide is Cc1cccc(CC(=O)Cc2cc(NC(=O)c3cc(C)ccc3F)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide?
The InChIKey is ULMVHVILOGGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO2/c1-15-4-3-5-17(10-15)12-20(28)14-18-13-19(7-9-22(18)25)27-24(29)21-11-16(2)6-8-23(21)26/h3-11,13H,12,14H2,1-2H3,(H,27,29).
What are the key properties of 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide?
2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide has a molecular weight of 393.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 161125503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).