2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide

C16H15N3O5 — CID 60572009

IUPAC2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c20-14-4-2-1-3-13(14)16(22)18-10-9-17-15(21)11-5-7-12(8-6-11)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22)
InChIKeyXYQSFLRRBNQMLX-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.46
Rot. Bonds6

About 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide

2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide (PubChem CID 60572009) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
PubChem CID60572009
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c20-14-4-2-1-3-13(14)16(22)18-10-9-17-15(21)11-5-7-12(8-6-11)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22)
InChIKeyXYQSFLRRBNQMLX-UHFFFAOYSA-N
XLogP1.46
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]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-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
CID 23358530
CID 23358530
N-(2-cyanoethyl)-4-nitrobenzamide
CID 517993
2-[(2-hydroxybenzoyl)amino]ethyl nitrate
CID 23176246
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide (CID 60572009) is 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
The InChIKey is XYQSFLRRBNQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14-4-2-1-3-13(14)16(22)18-10-9-17-15(21)11-5-7-12(8-6-11)19(23)24/h1-8,20H,9-10H2,(H,17,21)(H,18,22).
What are the key properties of 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide?
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide has a molecular weight of 329.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 60572009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).