3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide

C17H16FN5O2 — CID 119053119

IUPAC3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)c1F
InChIInChI=1S/C17H16FN5O2/c1-25-15-7-2-4-12(17(15)18)8-9-16(24)20-13-5-3-6-14(10-13)23-11-19-21-22-23/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyLERPBGVMNJIVOE-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.38
Rot. Bonds6

About 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide

3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 119053119) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID119053119
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)c1F
InChIInChI=1S/C17H16FN5O2/c1-25-15-7-2-4-12(17(15)18)8-9-16(24)20-13-5-3-6-14(10-13)23-11-19-21-22-23/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyLERPBGVMNJIVOE-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide (CID 119053119) is 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide is COc1cccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is LERPBGVMNJIVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-15-7-2-4-12(17(15)18)8-9-16(24)20-13-5-3-6-14(10-13)23-11-19-21-22-23/h2-7,10-11H,8-9H2,1H3,(H,20,24).
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 341.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 119053119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).