4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide

C15H14FNO — CID 114088240

IUPAC4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
SMILESC=C(C)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H14FNO/c1-10(2)9-17-15(18)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,1,9H2,2H3,(H,17,18)
InChIKeyMIBUAPKYHVKCDA-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.28
Rot. Bonds3

About 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide

4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide (PubChem CID 114088240) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
PubChem CID114088240
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
SMILESC=C(C)CNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H14FNO/c1-10(2)9-17-15(18)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,1,9H2,2H3,(H,17,18)
InChIKeyMIBUAPKYHVKCDA-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide (CID 114088240) is 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide is C=C(C)CNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide?
The InChIKey is MIBUAPKYHVKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-10(2)9-17-15(18)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8H,1,9H2,2H3,(H,17,18).
What are the key properties of 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide?
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide has a molecular weight of 243.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide is sourced from PubChem (CID 114088240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).