N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide

C16H15N3O5 — CID 72707126

IUPACN-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
SMILESO=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C16H15N3O5/c20-14-7-6-12(19(23)24)10-13(14)16(22)18-9-8-17-15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,17,21)(H,18,22)
InChIKeyDUIAWDQWCYCRPE-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.46
Rot. Bonds6

About N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide

N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide (PubChem CID 72707126) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
PubChem CID72707126
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
SMILESO=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C16H15N3O5/c20-14-7-6-12(19(23)24)10-13(14)16(22)18-9-8-17-15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,17,21)(H,18,22)
InChIKeyDUIAWDQWCYCRPE-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'}

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Related Compounds

2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
2-benzamido-4-nitro-N-(2-phenylethyl)benzamide
CID 1267964
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
N-[2-(4-benzamidophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950405
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
(2-chloro-4-nitrophenyl) 3-benzamidopropanoate
CID 16551848
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide (CID 72707126) is N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide is O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide?
The InChIKey is DUIAWDQWCYCRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14-7-6-12(19(23)24)10-13(14)16(22)18-9-8-17-15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,17,21)(H,18,22).
What are the key properties of N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide?
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide 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 N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 72707126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).