4-fluoro-N-pentylnaphthalene-1-carboxamide

C16H18FNO — CID 114088205

IUPAC4-fluoro-N-pentylnaphthalene-1-carboxamide
SMILESCCCCCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-2-3-6-11-18-16(19)14-9-10-15(17)13-8-5-4-7-12(13)14/h4-5,7-10H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyUHNZLOYAFTZTEP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.90
Rot. Bonds5

About 4-fluoro-N-pentylnaphthalene-1-carboxamide

4-fluoro-N-pentylnaphthalene-1-carboxamide (PubChem CID 114088205) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-N-pentylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-pentylnaphthalene-1-carboxamide
PubChem CID114088205
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-N-pentylnaphthalene-1-carboxamide
SMILESCCCCCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c1-2-3-6-11-18-16(19)14-9-10-15(17)13-8-5-4-7-12(13)14/h4-5,7-10H,2-3,6,11H2,1H3,(H,18,19)
InChIKeyUHNZLOYAFTZTEP-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentylnaphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-pentylnaphthalene-1-carboxamide (CID 114088205) is 4-fluoro-N-pentylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-pentylnaphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-pentylnaphthalene-1-carboxamide is CCCCCNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-pentylnaphthalene-1-carboxamide?
The InChIKey is UHNZLOYAFTZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-3-6-11-18-16(19)14-9-10-15(17)13-8-5-4-7-12(13)14/h4-5,7-10H,2-3,6,11H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-pentylnaphthalene-1-carboxamide?
4-fluoro-N-pentylnaphthalene-1-carboxamide has a molecular weight of 259.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentylnaphthalene-1-carboxamide is sourced from PubChem (CID 114088205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).