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

C14H9Cl2N3O3 — CID 693438

IUPAC3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3/c15-11-3-1-2-10(7-11)14(20)18-17-8-9-4-5-12(16)13(6-9)19(21)22/h1-8H,(H,18,20)
InChIKeyLCHSZCSSKLXBMC-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.67
Rot. Bonds4

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

3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 693438) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
PubChem CID693438
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2N3O3/c15-11-3-1-2-10(7-11)14(20)18-17-8-9-4-5-12(16)13(6-9)19(21)22/h1-8H,(H,18,20)
InChIKeyLCHSZCSSKLXBMC-UHFFFAOYSA-N
XLogP3.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6878496
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide (CID 693438) is 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is LCHSZCSSKLXBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-11-3-1-2-10(7-11)14(20)18-17-8-9-4-5-12(16)13(6-9)19(21)22/h1-8H,(H,18,20).
What are the key properties of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide?
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 338.15 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 693438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).