2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide

C14H21FN2O — CID 43567792

IUPAC2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
SMILESCCC(NCC(=O)NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-13(11-5-7-12(15)8-6-11)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySUEOWCCBSCULJR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.39
Rot. Bonds6

About 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide

2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide (PubChem CID 43567792) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
PubChem CID43567792
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
SMILESCCC(NCC(=O)NC(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-13(11-5-7-12(15)8-6-11)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySUEOWCCBSCULJR-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide (CID 43567792) is 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide is CCC(NCC(=O)NC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide?
The InChIKey is SUEOWCCBSCULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-13(11-5-7-12(15)8-6-11)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide?
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide has a molecular weight of 252.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).