3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide

C14H17F3N2O — CID 109013773

IUPAC3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCNC1CCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)19-12(20)7-8-18-9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H,19,20)
InChIKeyQKYHIBYDTNBPLY-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.96
Rot. Bonds5

About 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide

3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 109013773) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID109013773
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCNC1CCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)19-12(20)7-8-18-9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H,19,20)
InChIKeyQKYHIBYDTNBPLY-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2678790
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
CID 43558538
CID 43558538
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide (CID 109013773) is 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCNC1CCCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is QKYHIBYDTNBPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)19-12(20)7-8-18-9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H,19,20).
What are the key properties of 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide?
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 286.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 109013773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).