2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide

C14H10ClN3O4 — CID 135696942

IUPAC2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-11-4-2-1-3-10(11)14(20)17-16-8-9-5-6-13(19)12(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeySEBZEIAXPFIUKC-LZYBPNLTSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide

2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 135696942) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID135696942
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-11-4-2-1-3-10(11)14(20)17-16-8-9-5-6-13(19)12(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeySEBZEIAXPFIUKC-LZYBPNLTSA-N
XLogP2.72
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
2-hydroxy-N-[2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135750575
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 135696942) is 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is SEBZEIAXPFIUKC-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-4-2-1-3-10(11)14(20)17-16-8-9-5-6-13(19)12(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 319.70 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135696942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).