4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C17H14F3N5O — CID 41144986

IUPAC4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O/c1-11(13-3-2-4-14(9-13)17(18,19)20)22-16(26)12-5-7-15(8-6-12)25-10-21-23-24-25/h2-11H,1H3,(H,22,26)/t11-/m1/s1
InChIKeyIEIBYWLUKPXTEK-LLVKDONJSA-N
MW361.33 g/mol
LogP3.17
Rot. Bonds4

About 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 41144986) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID41144986
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N5O/c1-11(13-3-2-4-14(9-13)17(18,19)20)22-16(26)12-5-7-15(8-6-12)25-10-21-23-24-25/h2-11H,1H3,(H,22,26)/t11-/m1/s1
InChIKeyIEIBYWLUKPXTEK-LLVKDONJSA-N
XLogP3.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112763933
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 41144986) is 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is IEIBYWLUKPXTEK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-11(13-3-2-4-14(9-13)17(18,19)20)22-16(26)12-5-7-15(8-6-12)25-10-21-23-24-25/h2-11H,1H3,(H,22,26)/t11-/m1/s1.
What are the key properties of 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 361.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 41144986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).