N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide

C20H18F4N2O2 — CID 66848791

IUPACN-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C20H18F4N2O2/c1-2-3-4-19(27)26(17-10-15(12-25)9-16(21)11-17)13-14-5-7-18(8-6-14)28-20(22,23)24/h5-11H,2-4,13H2,1H3
InChIKeyWWUGVNIBOWJUDE-UHFFFAOYSA-N
MW394.37 g/mol
LogP5.32
Rot. Bonds7

About N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide

N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 66848791) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID66848791
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC NameN-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C20H18F4N2O2/c1-2-3-4-19(27)26(17-10-15(12-25)9-16(21)11-17)13-14-5-7-18(8-6-14)28-20(22,23)24/h5-11H,2-4,13H2,1H3
InChIKeyWWUGVNIBOWJUDE-UHFFFAOYSA-N
XLogP5.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide 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-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 66848441
4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 71254804
2-[N-[(4-butylphenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetic acid
CID 66961321
N-methyl-N',N'-dipropyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanediamide
CID 56540605
3-[4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]phenoxy]prop-2-enoic acid;(E)-3-[4-[4-[(3-fluoro-N-pentanoylanilino)methyl]phenyl]phenoxy]prop-2-enoic acid
CID 158691615
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-(3-cyanophenyl)propanamide
CID 66848446
N-(3-cyano-5-fluorophenyl)-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propanamide
CID 66853662
N-benzyl-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]pentanamide
CID 18366894
3-[(4-methoxycarbonylphenyl)methyl-pentanoylamino]benzoic acid
CID 67800191
1-[2-[butyl(ethyl)amino]-5-(trifluoromethoxy)phenyl]ethyl-[[3-cyano-5-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 87787010
methyl 2-[N-[(4-fluorophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetate
CID 59820829
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 66848791) is N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(C#N)c1.
What is the InChIKey of N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is WWUGVNIBOWJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c1-2-3-4-19(27)26(17-10-15(12-25)9-16(21)11-17)13-14-5-7-18(8-6-14)28-20(22,23)24/h5-11H,2-4,13H2,1H3.
What are the key properties of N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 394.37 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 66848791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).