3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

C11H10F3N5O — CID 154844252

IUPAC3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)6-10(20)15-8-3-1-2-7(4-8)5-9-16-18-19-17-9/h1-4H,5-6H2,(H,15,20)(H,16,17,18,19)
InChIKeyLIRQBXJJHGZARM-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.68
Rot. Bonds4

About 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (PubChem CID 154844252) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
PubChem CID154844252
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)6-10(20)15-8-3-1-2-7(4-8)5-9-16-18-19-17-9/h1-4H,5-6H2,(H,15,20)(H,16,17,18,19)
InChIKeyLIRQBXJJHGZARM-UHFFFAOYSA-N
XLogP1.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]furan-2-carboxamide
CID 59654655
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
CID 166399943
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503
2,2,3,3,3-pentafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 14253821
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
CID 166399934
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955285
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (CID 154844252) is 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is O=C(CC(F)(F)F)Nc1cccc(Cc2nn[nH]n2)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The InChIKey is LIRQBXJJHGZARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)6-10(20)15-8-3-1-2-7(4-8)5-9-16-18-19-17-9/h1-4H,5-6H2,(H,15,20)(H,16,17,18,19).
What are the key properties of 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide has a molecular weight of 285.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 154844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).