2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide

C18H18F3NO2 — CID 4845915

IUPAC2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-2-6-16(13-7-4-3-5-8-13)17(23)22-14-9-11-15(12-10-14)24-18(19,20)21/h3-5,7-12,16H,2,6H2,1H3,(H,22,23)
InChIKeyJXFYMYQFHIKWOK-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.11
Rot. Bonds6

About 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide

2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 4845915) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
PubChem CID4845915
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c1-2-6-16(13-7-4-3-5-8-13)17(23)22-14-9-11-15(12-10-14)24-18(19,20)21/h3-5,7-12,16H,2,6H2,1H3,(H,22,23)
InChIKeyJXFYMYQFHIKWOK-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
(2S)-2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219484
(2S)-2-benzylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 40753519
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
CID 9245233

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (CID 4845915) is 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is CCCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is JXFYMYQFHIKWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-2-6-16(13-7-4-3-5-8-13)17(23)22-14-9-11-15(12-10-14)24-18(19,20)21/h3-5,7-12,16H,2,6H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 337.34 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 4845915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).