(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide

C14H21FN2O — CID 141217094

IUPAC(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
SMILESCCC(C)[C@H](NCCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C14H21FN2O/c1-3-10(2)13(14(16)18)17-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H2,16,18)/t10?,13-/m0/s1
InChIKeyRILCVLSNGCGCTJ-HQVZTVAUSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds7

About (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide

(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide (PubChem CID 141217094) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
PubChem CID141217094
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
SMILESCCC(C)[C@H](NCCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C14H21FN2O/c1-3-10(2)13(14(16)18)17-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H2,16,18)/t10?,13-/m0/s1
InChIKeyRILCVLSNGCGCTJ-HQVZTVAUSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
CID 82322187
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
CID 126813614
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
CID 77328442
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide (CID 141217094) is (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide is CCC(C)[C@H](NCCc1ccc(F)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide?
The InChIKey is RILCVLSNGCGCTJ-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-10(2)13(14(16)18)17-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H2,16,18)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide?
(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide is sourced from PubChem (CID 141217094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).