4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide

C19H13FN2O2 — CID 11232437

IUPAC4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
SMILESN#CCOc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H13FN2O2/c20-13-4-3-5-14(12-13)22-19(23)17-8-9-18(24-11-10-21)16-7-2-1-6-15(16)17/h1-9,12H,11H2,(H,22,23)
InChIKeyPBZRBPLJNXKFIA-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.13
Rot. Bonds4

About 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide

4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide (PubChem CID 11232437) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
PubChem CID11232437
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
SMILESN#CCOc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H13FN2O2/c20-13-4-3-5-14(12-13)22-19(23)17-8-9-18(24-11-10-21)16-7-2-1-6-15(16)17/h1-9,12H,11H2,(H,22,23)
InChIKeyPBZRBPLJNXKFIA-UHFFFAOYSA-N
XLogP4.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-(2-hydroxyethoxy)naphthalene-1-carboxamide
CID 11738861
N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
CID 11430075
N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide
CID 11200985
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
CID 82179597
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55800264
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide (CID 11232437) is 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide is N#CCOc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The InChIKey is PBZRBPLJNXKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-13-4-3-5-14(12-13)22-19(23)17-8-9-18(24-11-10-21)16-7-2-1-6-15(16)17/h1-9,12H,11H2,(H,22,23).
What are the key properties of 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 11232437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).