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

C14H10ClN3O4 — CID 3405547

IUPAC4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O4/c15-11-6-5-9(7-12(11)18(21)22)14(20)17-16-8-10-3-1-2-4-13(10)19/h1-8,19H,(H,17,20)
InChIKeyDISDRGWMALYNEH-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 3405547) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID3405547
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O4/c15-11-6-5-9(7-12(11)18(21)22)14(20)17-16-8-10-3-1-2-4-13(10)19/h1-8,19H,(H,17,20)
InChIKeyDISDRGWMALYNEH-UHFFFAOYSA-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-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
4-chloro-3-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5416771
4-chloro-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 3407226
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5416780
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 94847876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (CID 3405547) is 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is O=C(NN=Cc1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is DISDRGWMALYNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-6-5-9(7-12(11)18(21)22)14(20)17-16-8-10-3-1-2-4-13(10)19/h1-8,19H,(H,17,20).
What are the key properties of 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
4-chloro-N-[(2-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 4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 3405547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).