3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide

C19H23F3N6O2 — CID 10224176

IUPAC3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N6O2/c1-11-25-26-27-28(11)16-8-7-13(10-15(16)19(20,21)22)14(9-12-5-3-4-6-12)17(29)24-18(30)23-2/h7-8,10,12,14H,3-6,9H2,1-2H3,(H2,23,24,29,30)
InChIKeyOOQBPGSJGVKPHP-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.11
Rot. Bonds5

About 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide

3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 10224176) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide
PubChem CID10224176
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N6O2/c1-11-25-26-27-28(11)16-8-7-13(10-15(16)19(20,21)22)14(9-12-5-3-4-6-12)17(29)24-18(30)23-2/h7-8,10,12,14H,3-6,9H2,1-2H3,(H2,23,24,29,30)
InChIKeyOOQBPGSJGVKPHP-UHFFFAOYSA-N
XLogP3.11
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide (CID 10224176) is 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide is CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OOQBPGSJGVKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-11-25-26-27-28(11)16-8-7-13(10-15(16)19(20,21)22)14(9-12-5-3-4-6-12)17(29)24-18(30)23-2/h7-8,10,12,14H,3-6,9H2,1-2H3,(H2,23,24,29,30).
What are the key properties of 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide?
3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 424.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 10224176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).