N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide

C12H16F3N5O — CID 134068455

IUPACN-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)NC1NNNN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N5O/c1-2-9(10(21)16-11-17-19-20-18-11)7-4-3-5-8(6-7)12(13,14)15/h3-6,9,11,17-20H,2H2,1H3,(H,16,21)
InChIKeyWGZPYYYEKMSAGD-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.72
Rot. Bonds4

About N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide

N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 134068455) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID134068455
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC NameN-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)NC1NNNN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N5O/c1-2-9(10(21)16-11-17-19-20-18-11)7-4-3-5-8(6-7)12(13,14)15/h3-6,9,11,17-20H,2H2,1H3,(H,16,21)
InChIKeyWGZPYYYEKMSAGD-UHFFFAOYSA-N
XLogP0.72
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119628819
5-[[2-[3-(trifluoromethyl)phenyl]butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110430
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
(2R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]butanamide
CID 97009452
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
2-O-tert-butyl 4-O-methyl 3-methyl-5-[2-[3-(trifluoromethyl)phenyl]butanoylamino]thiophene-2,4-dicarboxylate
CID 170358481
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752

Frequently Asked Questions

What is the IUPAC name of N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide (CID 134068455) is N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)NC1NNNN1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is WGZPYYYEKMSAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-2-9(10(21)16-11-17-19-20-18-11)7-4-3-5-8(6-7)12(13,14)15/h3-6,9,11,17-20H,2H2,1H3,(H,16,21).
What are the key properties of N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide?
N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 303.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 134068455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).