N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

C19H18FN5O3 — CID 55811842

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(OC)c1
InChIInChI=1S/C19H18FN5O3/c1-3-4-13-5-8-17(18(9-13)27-2)28-11-19(26)22-16-10-14(6-7-15(16)20)25-12-21-23-24-25/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyLUEVQLDKROJXCT-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.86
Rot. Bonds7

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (PubChem CID 55811842) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
PubChem CID55811842
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(OC)c1
InChIInChI=1S/C19H18FN5O3/c1-3-4-13-5-8-17(18(9-13)27-2)28-11-19(26)22-16-10-14(6-7-15(16)20)25-12-21-23-24-25/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyLUEVQLDKROJXCT-UHFFFAOYSA-N
XLogP2.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55813949
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
CID 18273621
3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26054584

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (CID 55811842) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide is CC=Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(OC)c1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The InChIKey is LUEVQLDKROJXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-3-4-13-5-8-17(18(9-13)27-2)28-11-19(26)22-16-10-14(6-7-15(16)20)25-12-21-23-24-25/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide has a molecular weight of 383.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide is sourced from PubChem (CID 55811842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).