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

C15H12ClN3O3 — CID 9174858

IUPAC3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O3/c1-10-5-6-11(7-14(10)19(21)22)9-17-18-15(20)12-3-2-4-13(16)8-12/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyPTZZDMMUMJWVIZ-MFOYZWKCSA-N
MW317.73 g/mol
LogP3.32
Rot. Bonds4

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

3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 9174858) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
PubChem CID9174858
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O3/c1-10-5-6-11(7-14(10)19(21)22)9-17-18-15(20)12-3-2-4-13(16)8-12/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyPTZZDMMUMJWVIZ-MFOYZWKCSA-N
XLogP3.32
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.32
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-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 3317117
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 4064288
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide (CID 9174858) is 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is PTZZDMMUMJWVIZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-10-5-6-11(7-14(10)19(21)22)9-17-18-15(20)12-3-2-4-13(16)8-12/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 317.73 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 9174858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).