2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide

C16H14ClN3O5 — CID 110515806

IUPAC2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc([N+](=O)[O-])c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H14ClN3O5/c1-25-15-8-13(20(23)24)11(7-14(15)21)9-18-19-16(22)6-10-2-4-12(17)5-3-10/h2-5,7-9,21H,6H2,1H3,(H,19,22)/b18-9-
InChIKeyWXBMJKJPHMTKNB-NVMNQCDNSA-N
MW363.76 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide (PubChem CID 110515806) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide
PubChem CID110515806
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc([N+](=O)[O-])c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C16H14ClN3O5/c1-25-15-8-13(20(23)24)11(7-14(15)21)9-18-19-16(22)6-10-2-4-12(17)5-3-10/h2-5,7-9,21H,6H2,1H3,(H,19,22)/b18-9-
InChIKeyWXBMJKJPHMTKNB-NVMNQCDNSA-N
XLogP2.66
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126371292
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249967
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
2-(4-chlorophenyl)-N-[(Z)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110515753
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515581
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136800675
N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789425
4-chloro-N-[2-[2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3330849
2-(4-tert-butylphenyl)-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 137079031
N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 137077195
N-[2-[2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3836904

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide (CID 110515806) is 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide is COc1cc([N+](=O)[O-])c(/C=N\NC(=O)Cc2ccc(Cl)cc2)cc1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is WXBMJKJPHMTKNB-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-25-15-8-13(20(23)24)11(7-14(15)21)9-18-19-16(22)6-10-2-4-12(17)5-3-10/h2-5,7-9,21H,6H2,1H3,(H,19,22)/b18-9-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 363.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).