N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

C14H10ClN3O4 — CID 137058209

IUPACN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1c(O)cccc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O4/c15-12-5-2-6-13(19)11(12)8-16-17-14(20)9-3-1-4-10(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyLHNGUNAAUJRQIW-PXNMLYILSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

About N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 137058209) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID137058209
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1c(O)cccc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O4/c15-12-5-2-6-13(19)11(12)8-16-17-14(20)9-3-1-4-10(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyLHNGUNAAUJRQIW-PXNMLYILSA-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_A(479)', '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

N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(2,6-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 1185166
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (CID 137058209) is N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1c(O)cccc1Cl)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is LHNGUNAAUJRQIW-PXNMLYILSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-12-5-2-6-13(19)11(12)8-16-17-14(20)9-3-1-4-10(7-9)18(21)22/h1-8,19H,(H,17,20)/b16-8-.
What are the key properties of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide 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 N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 137058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).