2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

C19H20N4O2 — CID 135104972

IUPAC2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(11-23-14-20-13-21-23)22-19(24)17-9-5-6-10-18(17)25-12-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,22,24)
InChIKeyZDQTWCSVTFFDCH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.68
Rot. Bonds7

About 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 135104972) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
PubChem CID135104972
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(11-23-14-20-13-21-23)22-19(24)17-9-5-6-10-18(17)25-12-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,22,24)
InChIKeyZDQTWCSVTFFDCH-UHFFFAOYSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518432
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595
2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86846352
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
2-[(4-fluorophenyl)methylsulfanyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 86834087
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 135104972) is 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is CC(Cn1cncn1)NC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The InChIKey is ZDQTWCSVTFFDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15(11-23-14-20-13-21-23)22-19(24)17-9-5-6-10-18(17)25-12-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 135104972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).