2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide

C11H11F3N6O — CID 79793593

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(-n2cnnn2)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3N6O/c1-10(15,11(12,13)14)9(21)17-7-2-4-8(5-3-7)20-6-16-18-19-20/h2-6H,15H2,1H3,(H,17,21)
InChIKeyWRBKVFPFTVYXBL-UHFFFAOYSA-N
MW300.24 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 79793593) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID79793593
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(-n2cnnn2)cc1)C(F)(F)F
InChIInChI=1S/C11H11F3N6O/c1-10(15,11(12,13)14)9(21)17-7-2-4-8(5-3-7)20-6-16-18-19-20/h2-6H,15H2,1H3,(H,17,21)
InChIKeyWRBKVFPFTVYXBL-UHFFFAOYSA-N
XLogP0.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
N-[4-(tetrazol-1-yl)phenyl]but-2-ynamide
CID 126851029
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 79793593) is 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide is CC(N)(C(=O)Nc1ccc(-n2cnnn2)cc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is WRBKVFPFTVYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c1-10(15,11(12,13)14)9(21)17-7-2-4-8(5-3-7)20-6-16-18-19-20/h2-6H,15H2,1H3,(H,17,21).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 300.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 79793593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).