2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide

C15H13ClN4O3 — CID 42992282

IUPAC2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCNc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O3/c1-17-13-7-6-10(8-14(13)20(22)23)9-18-19-15(21)11-4-2-3-5-12(11)16/h2-9,17H,1H3,(H,19,21)/b18-9+
InChIKeyPNTVWVRSWANRBJ-GIJQJNRQSA-N
MW332.75 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide

2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide (PubChem CID 42992282) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
PubChem CID42992282
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCNc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O3/c1-17-13-7-6-10(8-14(13)20(22)23)9-18-19-15(21)11-4-2-3-5-12(11)16/h2-9,17H,1H3,(H,19,21)/b18-9+
InChIKeyPNTVWVRSWANRBJ-GIJQJNRQSA-N
XLogP3.05
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 55352669
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
CID 4931391
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-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 19657462
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide (CID 42992282) is 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide is CNc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide?
The InChIKey is PNTVWVRSWANRBJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-17-13-7-6-10(8-14(13)20(22)23)9-18-19-15(21)11-4-2-3-5-12(11)16/h2-9,17H,1H3,(H,19,21)/b18-9+.
What are the key properties of 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide?
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide has a molecular weight of 332.75 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide is sourced from PubChem (CID 42992282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).