N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide

C14H10ClN3O5 — CID 5331819

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1O
InChIInChI=1S/C14H10ClN3O5/c15-11-4-1-8(5-12(11)18(22)23)7-16-17-14(21)10-3-2-9(19)6-13(10)20/h1-7,19-20H,(H,17,21)/b16-7+
InChIKeyVLFCISRRIFVYML-FRKPEAEDSA-N
MW335.70 g/mol
LogP2.42
Rot. Bonds4

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 5331819) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID5331819
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1O
InChIInChI=1S/C14H10ClN3O5/c15-11-4-1-8(5-12(11)18(22)23)7-16-17-14(21)10-3-2-9(19)6-13(10)20/h1-7,19-20H,(H,17,21)/b16-7+
InChIKeyVLFCISRRIFVYML-FRKPEAEDSA-N
XLogP2.42
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 5331819) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide is O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is VLFCISRRIFVYML-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c15-11-4-1-8(5-12(11)18(22)23)7-16-17-14(21)10-3-2-9(19)6-13(10)20/h1-7,19-20H,(H,17,21)/b16-7+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 335.70 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 5331819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).