2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C16H15ClN4O4 — CID 135750346

IUPAC2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H15ClN4O4/c1-10-6-12(17)2-4-14(10)18-9-16(23)20-19-8-11-7-13(21(24)25)3-5-15(11)22/h2-8,18,22H,9H2,1H3,(H,20,23)/b19-8-
InChIKeyRFRAJKDWDROSIQ-UWVJOHFNSA-N
MW362.77 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135750346) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135750346
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H15ClN4O4/c1-10-6-12(17)2-4-14(10)18-9-16(23)20-19-8-11-7-13(21(24)25)3-5-15(11)22/h2-8,18,22H,9H2,1H3,(H,20,23)/b19-8-
InChIKeyRFRAJKDWDROSIQ-UWVJOHFNSA-N
XLogP2.82
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
N-(4-chloro-2-methylphenyl)-4-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-4-oxobutanamide
CID 135403929
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
3-Chloro-N-(3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135616997
N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-{N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135829863
N-(2,5-dimethylphenyl)-4-(2-{2-hydroxy-5-nitrobenzylidene}hydrazino)-4-oxobutanamide
CID 135418692
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 155540767
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460
N-(2,5-dimethylphenyl)-2-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-2-oxoacetamide
CID 135419543
(E)-2-((4-chloro-2-methylphenyl)amino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 86261308

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135750346) is 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Cc1cc(Cl)ccc1NCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is RFRAJKDWDROSIQ-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-10-6-12(17)2-4-14(10)18-9-16(23)20-19-8-11-7-13(21(24)25)3-5-15(11)22/h2-8,18,22H,9H2,1H3,(H,20,23)/b19-8-.
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 362.77 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135750346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).