N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide

C24H28F4N2O2 — CID 172617773

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide
SMILESCCCOC1CC(C(=O)Nc2ccc(C(F)(F)F)cc2F)CC(c2ccc(NC)cc2)C1
InChIInChI=1S/C24H28F4N2O2/c1-3-10-32-20-12-16(15-4-7-19(29-2)8-5-15)11-17(13-20)23(31)30-22-9-6-18(14-21(22)25)24(26,27)28/h4-9,14,16-17,20,29H,3,10-13H2,1-2H3,(H,30,31)
InChIKeyZTFWBFDXUJKQLW-UHFFFAOYSA-N
MW452.49 g/mol
LogP6.20
Rot. Bonds7

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide

N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide (PubChem CID 172617773) has the molecular formula C24H28F4N2O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide
PubChem CID172617773
Molecular FormulaC24H28F4N2O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide
SMILESCCCOC1CC(C(=O)Nc2ccc(C(F)(F)F)cc2F)CC(c2ccc(NC)cc2)C1
InChIInChI=1S/C24H28F4N2O2/c1-3-10-32-20-12-16(15-4-7-19(29-2)8-5-15)11-17(13-20)23(31)30-22-9-6-18(14-21(22)25)24(26,27)28/h4-9,14,16-17,20,29H,3,10-13H2,1-2H3,(H,30,31)
InChIKeyZTFWBFDXUJKQLW-UHFFFAOYSA-N
XLogP6.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide 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

N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-[(3-methyloxetan-3-yl)methoxy]cyclohexane-1-carboxamide
CID 172617869
3-(4-bromophenyl)-5-(cyclopropylmethoxy)-N-[2-fluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;formic acid
CID 172618580
3-[4-[2-(dimethylamino)-1-methylbenzimidazol-5-yl]phenyl]-5-ethoxy-N-[2-fluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;formic acid;N-methylthiohydroxylamine
CID 172618680
3-[3-bromo-4-(trifluoromethyl)phenyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 172617692
3-[4-(3H-benzimidazol-5-yl)phenyl]-N-[2-fluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 172618132
(2R)-5-cyano-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-3-[4-(methylamino)phenyl]cyclohexane-1-carboxamide;formic acid
CID 172618621
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-[2-(oxan-4-yloxymethyl)phenyl]phenyl]cyclohexane-1-carboxamide
CID 172618244
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 172618058
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(4-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 172618458
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 172618779
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[2-methoxy-4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;formic acid
CID 172618282
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;formic acid
CID 172617826

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide (CID 172617773) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide is CCCOC1CC(C(=O)Nc2ccc(C(F)(F)F)cc2F)CC(c2ccc(NC)cc2)C1.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide?
The InChIKey is ZTFWBFDXUJKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O2/c1-3-10-32-20-12-16(15-4-7-19(29-2)8-5-15)11-17(13-20)23(31)30-22-9-6-18(14-21(22)25)24(26,27)28/h4-9,14,16-17,20,29H,3,10-13H2,1-2H3,(H,30,31).
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(methylamino)phenyl]-5-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 172617773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).