N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide

C14H10ClN3O3 — CID 7290572

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O3/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(8-6-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyMDLUDOBZLZYCIK-CXUHLZMHSA-N
MW303.71 g/mol
LogP3.01
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 7290572) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID7290572
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O3/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(8-6-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyMDLUDOBZLZYCIK-CXUHLZMHSA-N
XLogP3.01
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.01
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-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide (CID 7290572) is N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is MDLUDOBZLZYCIK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-13-4-2-1-3-11(13)9-16-17-14(19)10-5-7-12(8-6-10)18(20)21/h1-9H,(H,17,19)/b16-9+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 303.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 7290572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).