2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide

C12H14FN5O2 — CID 145463959

IUPAC2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCc1ccc(OC(C)(C)C(=O)Nc2nn[nH]n2)c(F)c1
InChIInChI=1S/C12H14FN5O2/c1-7-4-5-9(8(13)6-7)20-12(2,3)10(19)14-11-15-17-18-16-11/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyIFCPJVJYDROZFT-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.44
Rot. Bonds4

About 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide

2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 145463959) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
PubChem CID145463959
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCc1ccc(OC(C)(C)C(=O)Nc2nn[nH]n2)c(F)c1
InChIInChI=1S/C12H14FN5O2/c1-7-4-5-9(8(13)6-7)20-12(2,3)10(19)14-11-15-17-18-16-11/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyIFCPJVJYDROZFT-UHFFFAOYSA-N
XLogP1.44
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388
2-(2,4-difluorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 24957549
N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 56824721
2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide
CID 83092151
(2S)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95568799
(2R)-N-(2H-tetrazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95568800
2-(4-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 894047
N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 952896
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 952984

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide (CID 145463959) is 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide is Cc1ccc(OC(C)(C)C(=O)Nc2nn[nH]n2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is IFCPJVJYDROZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-7-4-5-9(8(13)6-7)20-12(2,3)10(19)14-11-15-17-18-16-11/h4-6H,1-3H3,(H2,14,15,16,17,18,19).
What are the key properties of 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 279.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 145463959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).