N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide

C19H13F2N5O — CID 18565743

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C19H13F2N5O/c20-16-9-8-13(10-17(16)21)26-18(23-24-25-26)11-22-19(27)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,27)
InChIKeyOGQGWTMCQAVZAP-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.02
Rot. Bonds4

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide (PubChem CID 18565743) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
PubChem CID18565743
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C19H13F2N5O/c20-16-9-8-13(10-17(16)21)26-18(23-24-25-26)11-22-19(27)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,27)
InChIKeyOGQGWTMCQAVZAP-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 18566100
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 18565775
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 16799307
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
(3S)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41129060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide (CID 18565743) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide is O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc2ccccc12.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is OGQGWTMCQAVZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-16-9-8-13(10-17(16)21)26-18(23-24-25-26)11-22-19(27)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,27).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 18565743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).