N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide

C15H12ClN3O3 — CID 5417751

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(19(21)22)6-7-14(12)16/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyXALMOFSQOBKECG-MFOYZWKCSA-N
MW317.73 g/mol
LogP3.32
Rot. Bonds4

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 5417751) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
PubChem CID5417751
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(19(21)22)6-7-14(12)16/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyXALMOFSQOBKECG-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

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929895
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 6043949
N-[(2-chloro-5-nitrophenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 4234086
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 126189353
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide (CID 5417751) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is XALMOFSQOBKECG-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(19(21)22)6-7-14(12)16/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide 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 N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5417751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).