N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide

C22H20F3NO — CID 141425664

IUPACN-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide
SMILESCCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC=CC=C1c1ccccc1
InChIInChI=1S/C22H20F3NO/c1-2-20(27)26-21(17-11-13-18(14-12-17)22(23,24)25)15-7-6-10-19(21)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyHYNCYUBGUGVJGL-UHFFFAOYSA-N
MW371.40 g/mol
LogP5.47
Rot. Bonds4

About N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide

N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide (PubChem CID 141425664) has the molecular formula C22H20F3NO and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide
PubChem CID141425664
Molecular FormulaC22H20F3NO
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide
SMILESCCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC=CC=C1c1ccccc1
InChIInChI=1S/C22H20F3NO/c1-2-20(27)26-21(17-11-13-18(14-12-17)22(23,24)25)15-7-6-10-19(21)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyHYNCYUBGUGVJGL-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methoxyphenyl)-1-phenylcyclohexa-2,4-dien-1-yl]acetamide
CID 141425670
cis-(2R,6S)-2-(ethylamino)-6-hydroxy-6-methyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 169100269
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
N-[(1R)-1-(3-hydroxypropyl)-2-phenylcyclohexa-2,4-dien-1-yl]acetamide
CID 141425096
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723024
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
3,3-difluoro-1-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]cyclobutane-1-carboxylic acid
CID 155956636
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 110490845

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide?
The IUPAC name of N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide (CID 141425664) is N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide.
What is the SMILES notation for N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide?
The canonical SMILES for N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide is CCC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC=CC=C1c1ccccc1.
What is the InChIKey of N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide?
The InChIKey is HYNCYUBGUGVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO/c1-2-20(27)26-21(17-11-13-18(14-12-17)22(23,24)25)15-7-6-10-19(21)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,26,27).
What are the key properties of N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide?
N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide has a molecular weight of 371.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]propanamide is sourced from PubChem (CID 141425664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).