N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide

C19H14FN5O — CID 16799290

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14FN5O/c20-16-7-9-17(10-8-16)25-18(22-23-24-25)12-21-19(26)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,21,26)
InChIKeyXRADEDPEPCICDC-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.88
Rot. Bonds4

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide (PubChem CID 16799290) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
PubChem CID16799290
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14FN5O/c20-16-7-9-17(10-8-16)25-18(22-23-24-25)12-21-19(26)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,21,26)
InChIKeyXRADEDPEPCICDC-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-3,5-bis(trifluoromethyl)benzamide
CID 16030215
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
CID 68011365
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}benzamide
CID 7216953
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methylbenzamide
CID 7216954
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-fluorobenzamide
CID 16030197
N-((1-phenyl-1H-tetrazol-5-yl)methyl)-2-naphthamide
CID 16799214
3-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)-2-(2-fluorophenethyl)isoindolin-1-one
CID 53301669
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-methylbenzamide
CID 7216958
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide
CID 7216968
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2-fluorobenzamide
CID 16030195
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(naphthalen-1-yl)acetamide
CID 16799300
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-2,2-diphenylacetamide
CID 16799301

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide (CID 16799290) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is XRADEDPEPCICDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-16-7-9-17(10-8-16)25-18(22-23-24-25)12-21-19(26)15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,21,26).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 16799290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).