N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide

C16H12F3N5O — CID 22579909

IUPACN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15(25)20-10-14-21-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)
InChIKeyNNOOLTUJGAIVRC-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.61
Rot. Bonds4

About N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 22579909) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID22579909
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15(25)20-10-14-21-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25)
InChIKeyNNOOLTUJGAIVRC-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126453641
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
3-oxo-N-[(1-phenyltetrazol-5-yl)methyl]-4H-1,4-benzoxazine-7-carboxamide
CID 119072038
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 18562109
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (CID 22579909) is N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NNOOLTUJGAIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)12-6-4-5-11(9-12)15(25)20-10-14-21-22-23-24(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,25).
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 347.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 22579909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).