N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide

C15H11BrClN3O3 — CID 7373616

IUPACN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1
InChIInChI=1S/C15H11BrClN3O3/c1-9-2-4-11(13(17)6-9)15(21)19-18-8-10-3-5-12(16)14(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-8-
InChIKeyJLKDMBBVYFSDFF-LSCVHKIXSA-N
MW396.63 g/mol
LogP4.08
Rot. Bonds4

About N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide

N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide (PubChem CID 7373616) has the molecular formula C15H11BrClN3O3 and a molecular weight of 396.63 g/mol. Its IUPAC name is N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
PubChem CID7373616
Molecular FormulaC15H11BrClN3O3
Molecular Weight396.63 g/mol
Exact Mass394.97
IUPAC NameN-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1
InChIInChI=1S/C15H11BrClN3O3/c1-9-2-4-11(13(17)6-9)15(21)19-18-8-10-3-5-12(16)14(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-8-
InChIKeyJLKDMBBVYFSDFF-LSCVHKIXSA-N
XLogP4.08
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 54.08
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-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-methylbenzamide
CID 135579559
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-chloro-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 41339746
2-chloro-N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 135554740
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide (CID 7373616) is N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1.
What is the InChIKey of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide?
The InChIKey is JLKDMBBVYFSDFF-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11BrClN3O3/c1-9-2-4-11(13(17)6-9)15(21)19-18-8-10-3-5-12(16)14(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide?
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide has a molecular weight of 396.63 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 7373616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).