2-amino-N-(3,4,5-trifluorophenyl)pentanamide

C11H13F3N2O — CID 62814039

IUPAC2-amino-N-(3,4,5-trifluorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O/c1-2-3-9(15)11(17)16-6-4-7(12)10(14)8(13)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyPBNDKPFJUZQONV-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-N-(3,4,5-trifluorophenyl)pentanamide

2-amino-N-(3,4,5-trifluorophenyl)pentanamide (PubChem CID 62814039) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-amino-N-(3,4,5-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3,4,5-trifluorophenyl)pentanamide
PubChem CID62814039
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-amino-N-(3,4,5-trifluorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O/c1-2-3-9(15)11(17)16-6-4-7(12)10(14)8(13)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyPBNDKPFJUZQONV-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.17
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-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
CID 119290625
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4,5-trifluorophenyl)pentanamide?
The IUPAC name of 2-amino-N-(3,4,5-trifluorophenyl)pentanamide (CID 62814039) is 2-amino-N-(3,4,5-trifluorophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3,4,5-trifluorophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3,4,5-trifluorophenyl)pentanamide is CCCC(N)C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-amino-N-(3,4,5-trifluorophenyl)pentanamide?
The InChIKey is PBNDKPFJUZQONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-3-9(15)11(17)16-6-4-7(12)10(14)8(13)5-6/h4-5,9H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3,4,5-trifluorophenyl)pentanamide?
2-amino-N-(3,4,5-trifluorophenyl)pentanamide has a molecular weight of 246.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4,5-trifluorophenyl)pentanamide is sourced from PubChem (CID 62814039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).