N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide

C24H20F3NO2 — CID 147729702

IUPACN-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO2/c25-24(26,27)19-12-7-11-18(16-19)23(30)28-21-14-5-4-13-20(21)22(29)15-6-10-17-8-2-1-3-9-17/h1-5,7-9,11-14,16H,6,10,15H2,(H,28,30)
InChIKeyGYEHEGNREYTBTP-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.16
Rot. Bonds7

About N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide

N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 147729702) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID147729702
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC NameN-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO2/c25-24(26,27)19-12-7-11-18(16-19)23(30)28-21-14-5-4-13-20(21)22(29)15-6-10-17-8-2-1-3-9-17/h1-5,7-9,11-14,16H,6,10,15H2,(H,28,30)
InChIKeyGYEHEGNREYTBTP-UHFFFAOYSA-N
XLogP6.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide (CID 147729702) is N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccccc1C(=O)CCCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GYEHEGNREYTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2/c25-24(26,27)19-12-7-11-18(16-19)23(30)28-21-14-5-4-13-20(21)22(29)15-6-10-17-8-2-1-3-9-17/h1-5,7-9,11-14,16H,6,10,15H2,(H,28,30).
What are the key properties of N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 411.42 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 147729702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).