3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C22H23F4NO2 — CID 166763737

IUPAC3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)N(c1cccc(F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H23F4NO2/c23-17-8-4-9-18(14-17)27(21(28)13-12-16-6-2-1-3-7-16)19-10-5-11-20(15-19)29-22(24,25)26/h4-5,8-11,14-16H,1-3,6-7,12-13H2
InChIKeyJBEKIEGIEFATSO-UHFFFAOYSA-N
MW409.42 g/mol
LogP6.75
Rot. Bonds6

About 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide

3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 166763737) has the molecular formula C22H23F4NO2 and a molecular weight of 409.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID166763737
Molecular FormulaC22H23F4NO2
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC Name3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)N(c1cccc(F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H23F4NO2/c23-17-8-4-9-18(14-17)27(21(28)13-12-16-6-2-1-3-7-16)19-10-5-11-20(15-19)29-22(24,25)26/h4-5,8-11,14-16H,1-3,6-7,12-13H2
InChIKeyJBEKIEGIEFATSO-UHFFFAOYSA-N
XLogP6.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
(3S)-3-[3-cyclohexylpropanoyl-[[3-(trifluoromethoxy)phenyl]sulfonylamino]amino]-4-oxobutanoic acid
CID 87783108
N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide
CID 42706792
N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142120433
N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
CID 173222069
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300
3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
CID 143865610
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 71106762
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
CID 166763856

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 166763737) is 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide is O=C(CCC1CCCCC1)N(c1cccc(F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is JBEKIEGIEFATSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO2/c23-17-8-4-9-18(14-17)27(21(28)13-12-16-6-2-1-3-7-16)19-10-5-11-20(15-19)29-22(24,25)26/h4-5,8-11,14-16H,1-3,6-7,12-13H2.
What are the key properties of 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 409.42 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 166763737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).