N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide

C14H9Cl2N3O3 — CID 774733

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O3/c15-12-2-1-3-13(16)11(12)8-17-18-14(20)9-4-6-10(7-5-9)19(21)22/h1-8H,(H,18,20)
InChIKeyIQSXBSDAPAKANC-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.67
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide

N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 774733) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID774733
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9Cl2N3O3/c15-12-2-1-3-13(16)11(12)8-17-18-14(20)9-4-6-10(7-5-9)19(21)22/h1-8H,(H,18,20)
InChIKeyIQSXBSDAPAKANC-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

N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(2,6-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 1185166
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide (CID 774733) is N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide is O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is IQSXBSDAPAKANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-12-2-1-3-13(16)11(12)8-17-18-14(20)9-4-6-10(7-5-9)19(21)22/h1-8H,(H,18,20).
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide?
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide 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 N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).