N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide

C19H14FNO3 — CID 163347338

IUPACN-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(NC(O)C(=O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H14FNO3/c20-14-10-8-13(9-11-14)17(22)19(24)21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19,24H,(H,21,23)
InChIKeyOFVWTBWTEICGSN-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide

N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 163347338) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID163347338
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC NameN-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(NC(O)C(=O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H14FNO3/c20-14-10-8-13(9-11-14)17(22)19(24)21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19,24H,(H,21,23)
InChIKeyOFVWTBWTEICGSN-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 3101991
4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
CID 3583645
N-(1-Hydroxy-2-oxo-2-phenyl-ethyl)-benzamide
CID 2830272
2,6-difluoro-N-[2-hydroxy-2-(2-naphthyl)ethyl]benzenecarboxamide
CID 3544778
3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
CID 45114305
(R)-2-(2-naphthamido)-3-(3,4,5-trifluorophenyl)propanoic acid
CID 46884113
(R)-2-(2-naphthamido)-5-(3-fluorophenyl)pentanoic acid
CID 46884233
(R)-2-(2-naphthamido)-3-(2-fluorophenyl)propanoic acid
CID 46883948
(+/-)-2-(2-Naphthamido)-3-(2,3-difluorophenyl)propanoic acid
CID 46884010
(R)-2-(2-naphthamido)-3-(3,4-difluorophenyl)propanoic acid
CID 46884110
3-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764098
N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 56764121

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide (CID 163347338) is N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide is O=C(NC(O)C(=O)c1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is OFVWTBWTEICGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-14-10-8-13(9-11-14)17(22)19(24)21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19,24H,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 163347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).