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

C19H21N5O — CID 75394822

IUPAC2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-15(12-24-14-20-13-22-24)23-19(25)17-9-5-6-10-18(17)21-11-16-7-3-2-4-8-16/h2-10,13-15,21H,11-12H2,1H3,(H,23,25)
InChIKeyQCEWNXWVOXYHBJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds7

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

2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 75394822) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
PubChem CID75394822
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-15(12-24-14-20-13-22-24)23-19(25)17-9-5-6-10-18(17)21-11-16-7-3-2-4-8-16/h2-10,13-15,21H,11-12H2,1H3,(H,23,25)
InChIKeyQCEWNXWVOXYHBJ-UHFFFAOYSA-N
XLogP2.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
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-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
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-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595
2-[(4-fluorophenyl)methylsulfanyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 86834087
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518432

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 75394822) is 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is CC(Cn1cncn1)NC(=O)c1ccccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The InChIKey is QCEWNXWVOXYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15(12-24-14-20-13-22-24)23-19(25)17-9-5-6-10-18(17)21-11-16-7-3-2-4-8-16/h2-10,13-15,21H,11-12H2,1H3,(H,23,25).
What are the key properties of 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 75394822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).