2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

C19H20N4O — CID 91795549

IUPAC2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCc1cccc(-c2ccccc2C(=O)NC(C)Cn2cncn2)c1
InChIInChI=1S/C19H20N4O/c1-14-6-5-7-16(10-14)17-8-3-4-9-18(17)19(24)22-15(2)11-23-13-20-12-21-23/h3-10,12-13,15H,11H2,1-2H3,(H,22,24)
InChIKeyNQFJPWJWJSKGNY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.07
Rot. Bonds5

About 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 91795549) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
PubChem CID91795549
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCc1cccc(-c2ccccc2C(=O)NC(C)Cn2cncn2)c1
InChIInChI=1S/C19H20N4O/c1-14-6-5-7-16(10-14)17-8-3-4-9-18(17)19(24)22-15(2)11-23-13-20-12-21-23/h3-10,12-13,15H,11H2,1-2H3,(H,22,24)
InChIKeyNQFJPWJWJSKGNY-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 56911423
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518432
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
1-ethyl-1-[2-(3-methylphenoxy)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 126440605

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 91795549) is 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is Cc1cccc(-c2ccccc2C(=O)NC(C)Cn2cncn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The InChIKey is NQFJPWJWJSKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-6-5-7-16(10-14)17-8-3-4-9-18(17)19(24)22-15(2)11-23-13-20-12-21-23/h3-10,12-13,15H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 91795549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).