3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C17H20F5NO2 — CID 78848521

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H20F5NO2/c18-16(19)25-14-7-4-11(5-8-14)6-9-15(24)23-13-3-1-2-12(10-13)17(20,21)22/h4-5,7-8,12-13,16H,1-3,6,9-10H2,(H,23,24)
InChIKeyNUOAYOPLIGYXKR-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.46
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 78848521) has the molecular formula C17H20F5NO2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID78848521
Molecular FormulaC17H20F5NO2
Molecular Weight365.34 g/mol
Exact Mass365.14
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H20F5NO2/c18-16(19)25-14-7-4-11(5-8-14)6-9-15(24)23-13-3-1-2-12(10-13)17(20,21)22/h4-5,7-8,12-13,16H,1-3,6,9-10H2,(H,23,24)
InChIKeyNUOAYOPLIGYXKR-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
3-[4-(difluoromethoxy)phenyl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119491882
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
3-(1,3-benzothiazol-2-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51930213
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 119456975

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 78848521) is 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide is O=C(CCc1ccc(OC(F)F)cc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is NUOAYOPLIGYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5NO2/c18-16(19)25-14-7-4-11(5-8-14)6-9-15(24)23-13-3-1-2-12(10-13)17(20,21)22/h4-5,7-8,12-13,16H,1-3,6,9-10H2,(H,23,24).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 365.34 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 78848521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).