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

C15H12ClN3O3 — CID 40963819

IUPAC2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c1-10-5-6-13(14(16)7-10)15(20)18-17-9-11-3-2-4-12(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyPIPHXNPPRDFWMN-MFOYZWKCSA-N
MW317.73 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 40963819) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID40963819
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c1-10-5-6-13(14(16)7-10)15(20)18-17-9-11-3-2-4-12(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyPIPHXNPPRDFWMN-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

2-chloro-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 41339746
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 7373616
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-chloro-N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 135554740
4-chloro-1-methyl-N-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 831864
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (CID 40963819) is 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is PIPHXNPPRDFWMN-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-10-5-6-13(14(16)7-10)15(20)18-17-9-11-3-2-4-12(8-11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
2-chloro-4-methyl-N-[(Z)-(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 2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 40963819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).