2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide

C16H14FN3O4 — CID 126234012

IUPAC2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O4/c1-24-15-7-6-14(20(22)23)9-12(15)10-18-19-16(21)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyRKDVTNBIJRBMFG-VCHYOVAHSA-N
MW331.30 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide

2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 126234012) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID126234012
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O4/c1-24-15-7-6-14(20(22)23)9-12(15)10-18-19-16(21)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyRKDVTNBIJRBMFG-VCHYOVAHSA-N
XLogP2.44
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

methyl (2E)-2-{2-[(4-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866533
ethyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866135
methyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6867106
(2E)-2-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)hydrazinecarboxamide
CID 5349888
N-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 9677640
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
(4-Methoxy-phenyl)-acetic acid (3-bromo-2-hydroxy-5-nitro-benzylidene)-hydrazide
CID 135529651
4-Methoxybenzoic (3-nitrobenzylidene)hydrazide
CID 9554822
N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 5349970
N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 9563405
3-fluoro-N-{2-[(2E)-2-(2-methoxy-5-nitrobenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 9596327
N-(2-{2-[(E)-1-(2-Methoxy-5-nitrophenyl)methylidene]hydrazino}-2-oxoethyl)-2,2-diphenylacetamide
CID 9597520

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide (CID 126234012) is 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide is COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is RKDVTNBIJRBMFG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-24-15-7-6-14(20(22)23)9-12(15)10-18-19-16(21)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21)/b18-10+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide?
2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 331.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126234012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).