4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide

C16H14ClN3O5 — CID 55736753

IUPAC4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O5/c17-11-3-6-13(14(9-11)20(24)25)16(23)19-8-7-18-15(22)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8H2,(H,18,22)(H,19,23)
InChIKeyOVHARCWJNVGWNX-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.11
Rot. Bonds6

About 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide

4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide (PubChem CID 55736753) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide
PubChem CID55736753
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O5/c17-11-3-6-13(14(9-11)20(24)25)16(23)19-8-7-18-15(22)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8H2,(H,18,22)(H,19,23)
InChIKeyOVHARCWJNVGWNX-UHFFFAOYSA-N
XLogP2.11
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.11
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

4-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119500583
N-(5-bromopentyl)-4-chloro-2-nitrobenzamide
CID 107322126
4-chloro-N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide
CID 119619506
4-chloro-N-(3-methyl-2-oxobutyl)-2-nitrobenzamide
CID 64996640
4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
CID 9224325
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020133
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
4-chloro-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81479371
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
N-(3-bromo-4-methoxybutyl)-4-chloro-2-nitrobenzamide
CID 106244850
4-chloro-N-[3-(4-chloro-2-methylphenoxy)propyl]-2-nitrobenzamide
CID 60578491
4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
CID 28889464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide (CID 55736753) is 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide is O=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide?
The InChIKey is OVHARCWJNVGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c17-11-3-6-13(14(9-11)20(24)25)16(23)19-8-7-18-15(22)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8H2,(H,18,22)(H,19,23).
What are the key properties of 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide?
4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide has a molecular weight of 363.76 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide is sourced from PubChem (CID 55736753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).