3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide

C20H19F3N6O2 — CID 55616983

IUPAC3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1-n1cnnn1
InChIInChI=1S/C20H19F3N6O2/c1-13-10-14(2-4-17(13)29-12-24-26-27-29)19(30)25-16-11-15(20(21,22)23)3-5-18(16)28-6-8-31-9-7-28/h2-5,10-12H,6-9H2,1H3,(H,25,30)
InChIKeyODJVLKOUVZQWDQ-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.08
Rot. Bonds4

About 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide

3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 55616983) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
PubChem CID55616983
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1-n1cnnn1
InChIInChI=1S/C20H19F3N6O2/c1-13-10-14(2-4-17(13)29-12-24-26-27-29)19(30)25-16-11-15(20(21,22)23)3-5-18(16)28-6-8-31-9-7-28/h2-5,10-12H,6-9H2,1H3,(H,25,30)
InChIKeyODJVLKOUVZQWDQ-UHFFFAOYSA-N
XLogP3.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide (CID 55616983) is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is ODJVLKOUVZQWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-13-10-14(2-4-17(13)29-12-24-26-27-29)19(30)25-16-11-15(20(21,22)23)3-5-18(16)28-6-8-31-9-7-28/h2-5,10-12H,6-9H2,1H3,(H,25,30).
What are the key properties of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide?
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 432.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55616983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).