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

C14H10ClN3O4 — CID 51712109

IUPAC4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-12(18(21)22)13(19)7-9/h1-8,19H,(H,17,20)/b16-8+
InChIKeyKHNAGKNUNSARCQ-LZYBPNLTSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

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

4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide (PubChem CID 51712109) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
PubChem CID51712109
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-12(18(21)22)13(19)7-9/h1-8,19H,(H,17,20)/b16-8+
InChIKeyKHNAGKNUNSARCQ-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': '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

5-chloro-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 146510338
2-[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-nitrophenyl]sulfanylacetic acid
CID 41016971
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
4-chloro-N-[1-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 135679567
N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-nitrobenzamide
CID 39367831
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-bromo-N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide
CID 39367805
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
CID 135643467
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide (CID 51712109) is 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is KHNAGKNUNSARCQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-12(18(21)22)13(19)7-9/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(3-hydroxy-4-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 4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 51712109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).