N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

C17H15N5O2 — CID 97252587

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNC(=O)[C@@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)c1ccccc1
InChIInChI=1S/C17H15N5O2/c18-15(23)14(11-5-2-1-3-6-11)21-17(24)13-8-4-7-12(9-13)16-19-10-20-22-16/h1-10,14H,(H2,18,23)(H,21,24)(H,19,20,22)/t14-/m0/s1
InChIKeyIMIOVEITWMBYTR-AWEZNQCLSA-N
MW321.34 g/mol
LogP1.43
Rot. Bonds5

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 97252587) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID97252587
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNC(=O)[C@@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)c1ccccc1
InChIInChI=1S/C17H15N5O2/c18-15(23)14(11-5-2-1-3-6-11)21-17(24)13-8-4-7-12(9-13)16-19-10-20-22-16/h1-10,14H,(H2,18,23)(H,21,24)(H,19,20,22)/t14-/m0/s1
InChIKeyIMIOVEITWMBYTR-AWEZNQCLSA-N
XLogP1.43
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278
(2S)-2-phenyl-2-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]acetic acid
CID 167867101
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166192461
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
1-(2,2-diphenylethyl)-2-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]guanidine
CID 111796619
N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide
CID 70531798
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166189190

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 97252587) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is NC(=O)[C@@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is IMIOVEITWMBYTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-15(23)14(11-5-2-1-3-6-11)21-17(24)13-8-4-7-12(9-13)16-19-10-20-22-16/h1-10,14H,(H2,18,23)(H,21,24)(H,19,20,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 97252587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).