5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide

C13H19FN2O — CID 113440979

IUPAC5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
SMILESCC(CCCN)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(5-4-8-15)13(17)16(2)12-7-3-6-11(14)9-12/h3,6-7,9-10H,4-5,8,15H2,1-2H3
InChIKeyBRBRVDPFVICLNL-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide

5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide (PubChem CID 113440979) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
PubChem CID113440979
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
SMILESCC(CCCN)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(5-4-8-15)13(17)16(2)12-7-3-6-11(14)9-12/h3,6-7,9-10H,4-5,8,15H2,1-2H3
InChIKeyBRBRVDPFVICLNL-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
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1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
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2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
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3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
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1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
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5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide?
The IUPAC name of 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide (CID 113440979) is 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide?
The canonical SMILES for 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide is CC(CCCN)C(=O)N(C)c1cccc(F)c1.
What is the InChIKey of 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide?
The InChIKey is BRBRVDPFVICLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(5-4-8-15)13(17)16(2)12-7-3-6-11(14)9-12/h3,6-7,9-10H,4-5,8,15H2,1-2H3.
What are the key properties of 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide?
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide is sourced from PubChem (CID 113440979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).