N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C18H16F3N5O2 — CID 55677099

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3N5O2/c1-12-23-24-25-26(12)16-4-2-3-15(9-16)22-17(27)14-7-5-13(6-8-14)10-28-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,27)
InChIKeyUCEFOMNQLIOALN-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.30
Rot. Bonds6

About N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55677099) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55677099
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3N5O2/c1-12-23-24-25-26(12)16-4-2-3-15(9-16)22-17(27)14-7-5-13(6-8-14)10-28-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,27)
InChIKeyUCEFOMNQLIOALN-UHFFFAOYSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822525
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676850
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55677099) is N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1nnnn1-c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is UCEFOMNQLIOALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-12-23-24-25-26(12)16-4-2-3-15(9-16)22-17(27)14-7-5-13(6-8-14)10-28-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,27).
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 391.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55677099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).