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

C19H17N5O2 — CID 75517595

IUPAC2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H17N5O2/c1-14(11-24-13-21-12-22-24)23-19(25)16-7-3-5-9-18(16)26-17-8-4-2-6-15(17)10-20/h2-9,12-14H,11H2,1H3,(H,23,25)
InChIKeyWKPJUBJWHKKBOR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.76
Rot. Bonds6

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

2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 75517595) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
PubChem CID75517595
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H17N5O2/c1-14(11-24-13-21-12-22-24)23-19(25)16-7-3-5-9-18(16)26-17-8-4-2-6-15(17)10-20/h2-9,12-14H,11H2,1H3,(H,23,25)
InChIKeyWKPJUBJWHKKBOR-UHFFFAOYSA-N
XLogP2.76
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
2-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]oxybenzonitrile
CID 153316431
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518432
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86846352
2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 75517595) is 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is CC(Cn1cncn1)NC(=O)c1ccccc1Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The InChIKey is WKPJUBJWHKKBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-14(11-24-13-21-12-22-24)23-19(25)16-7-3-5-9-18(16)26-17-8-4-2-6-15(17)10-20/h2-9,12-14H,11H2,1H3,(H,23,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 75517595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).