2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide

C16H25FN2O — CID 43112605

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCCc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-12(2)8-10-19-16(20)13(3)18-11-9-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyCQCSOHFHHIAYTR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide

2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide (PubChem CID 43112605) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
PubChem CID43112605
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCCc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-12(2)8-10-19-16(20)13(3)18-11-9-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3,(H,19,20)
InChIKeyCQCSOHFHHIAYTR-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62312844
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide (CID 43112605) is 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is CQCSOHFHHIAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)8-10-19-16(20)13(3)18-11-9-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).