(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

C17H13F4N5O — CID 9353497

IUPAC(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F4N5O/c1-10(16(27)22-14-8-3-2-7-13(14)18)26-24-15(23-25-26)11-5-4-6-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,27)/t10-/m1/s1
InChIKeyUFBOIHDSLLGGJB-SNVBAGLBSA-N
MW379.32 g/mol
LogP3.70
Rot. Bonds4

About (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (PubChem CID 9353497) has the molecular formula C17H13F4N5O and a molecular weight of 379.32 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
PubChem CID9353497
Molecular FormulaC17H13F4N5O
Molecular Weight379.32 g/mol
Exact Mass379.11
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F4N5O/c1-10(16(27)22-14-8-3-2-7-13(14)18)26-24-15(23-25-26)11-5-4-6-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,27)/t10-/m1/s1
InChIKeyUFBOIHDSLLGGJB-SNVBAGLBSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 30396293
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 43058370
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
(2S)-1-(4-ethylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propan-1-one
CID 95270096
N-(2-methylsulfanylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 25477677
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430474
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]-N-(2,2-dimethylpropylideneamino)propanamide
CID 2730782
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (CID 9353497) is (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is C[C@H](C(=O)Nc1ccccc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The InChIKey is UFBOIHDSLLGGJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13F4N5O/c1-10(16(27)22-14-8-3-2-7-13(14)18)26-24-15(23-25-26)11-5-4-6-12(9-11)17(19,20)21/h2-10H,1H3,(H,22,27)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide has a molecular weight of 379.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 9353497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).