3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide

C22H23F4N3O2 — CID 90940134

IUPAC3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C22H23F4N3O2/c23-18-10-9-15(22(24,25)26)12-19(18)29-21(31)28-17-7-3-6-16(13-17)27-20(30)11-8-14-4-1-2-5-14/h3,6-7,9-10,12-14H,1-2,4-5,8,11H2,(H,27,30)(H2,28,29,31)
InChIKeyGNEGOSVTZKJHLD-UHFFFAOYSA-N
MW437.44 g/mol
LogP6.40
Rot. Bonds6

About 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide

3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide (PubChem CID 90940134) has the molecular formula C22H23F4N3O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide
PubChem CID90940134
Molecular FormulaC22H23F4N3O2
Molecular Weight437.44 g/mol
Exact Mass437.17
IUPAC Name3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C22H23F4N3O2/c23-18-10-9-15(22(24,25)26)12-19(18)29-21(31)28-17-7-3-6-16(13-17)27-20(30)11-8-14-4-1-2-5-14/h3,6-7,9-10,12-14H,1-2,4-5,8,11H2,(H,27,30)(H2,28,29,31)
InChIKeyGNEGOSVTZKJHLD-UHFFFAOYSA-N
XLogP6.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]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

N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide (CID 90940134) is 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide is O=C(CCC1CCCC1)Nc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide?
The InChIKey is GNEGOSVTZKJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O2/c23-18-10-9-15(22(24,25)26)12-19(18)29-21(31)28-17-7-3-6-16(13-17)27-20(30)11-8-14-4-1-2-5-14/h3,6-7,9-10,12-14H,1-2,4-5,8,11H2,(H,27,30)(H2,28,29,31).
What are the key properties of 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide?
3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide has a molecular weight of 437.44 g/mol, XLogP of 6.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 90940134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).