4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide

C15H16FNO2 — CID 114088238

IUPAC4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
SMILESCCC(O)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H16FNO2/c1-2-10(18)9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyLLEVJAVDKDAXHO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds4

About 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide

4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide (PubChem CID 114088238) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
PubChem CID114088238
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
SMILESCCC(O)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H16FNO2/c1-2-10(18)9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyLLEVJAVDKDAXHO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide
CID 175644929
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]butanoic acid
CID 79749423
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide (CID 114088238) is 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide is CCC(O)CNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide?
The InChIKey is LLEVJAVDKDAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-10(18)9-17-15(19)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,10,18H,2,9H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide?
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide is sourced from PubChem (CID 114088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).