2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide

C14H21FN2O — CID 60847510

IUPAC2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-9-14(2,16)13(18)17-10-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyLIXTVJUSOYQOJJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds6

About 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide

2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 60847510) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
PubChem CID60847510
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-9-14(2,16)13(18)17-10-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyLIXTVJUSOYQOJJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
CID 119745886
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide (CID 60847510) is 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is LIXTVJUSOYQOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-9-14(2,16)13(18)17-10-8-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 60847510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).