4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H10FN5O2 — CID 81002204

IUPAC4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2nn[nH]n2)ccc1F
InChIInChI=1S/C10H10FN5O2/c1-18-8-4-6(2-3-7(8)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyXGVIYYAWVZZVPN-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.28
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide

4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 81002204) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID81002204
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2nn[nH]n2)ccc1F
InChIInChI=1S/C10H10FN5O2/c1-18-8-4-6(2-3-7(8)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyXGVIYYAWVZZVPN-UHFFFAOYSA-N
XLogP0.28
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 81002204) is 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide is COc1cc(C(=O)NCc2nn[nH]n2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is XGVIYYAWVZZVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c1-18-8-4-6(2-3-7(8)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 251.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 81002204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).