(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide

C11H12FN5O — CID 94216245

IUPAC(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1cc(-c2nnn([C@H](C)C(N)=O)n2)ccc1F
InChIInChI=1S/C11H12FN5O/c1-6-5-8(3-4-9(6)12)11-14-16-17(15-11)7(2)10(13)18/h3-5,7H,1-2H3,(H2,13,18)/t7-/m1/s1
InChIKeyCOFSWOYPISNMDR-SSDOTTSWSA-N
MW249.25 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide

(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 94216245) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID94216245
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1cc(-c2nnn([C@H](C)C(N)=O)n2)ccc1F
InChIInChI=1S/C11H12FN5O/c1-6-5-8(3-4-9(6)12)11-14-16-17(15-11)7(2)10(13)18/h3-5,7H,1-2H3,(H2,13,18)/t7-/m1/s1
InChIKeyCOFSWOYPISNMDR-SSDOTTSWSA-N
XLogP0.83
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
CID 166200587
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
(2R)-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 31395317
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 9353497
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
CID 51096590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide (CID 94216245) is (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide is Cc1cc(-c2nnn([C@H](C)C(N)=O)n2)ccc1F.
What is the InChIKey of (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is COFSWOYPISNMDR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-6-5-8(3-4-9(6)12)11-14-16-17(15-11)7(2)10(13)18/h3-5,7H,1-2H3,(H2,13,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide?
(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 249.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 94216245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).