N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide

C16H13FN2O5 — CID 8641124

IUPACN-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN2O5/c17-13-4-2-1-3-12(13)8-18-16(21)10-24-15-6-5-11(9-20)7-14(15)19(22)23/h1-7,9H,8,10H2,(H,18,21)
InChIKeyTWLUFJDXNIKYCR-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.24
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide

N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide (PubChem CID 8641124) has the molecular formula C16H13FN2O5 and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
PubChem CID8641124
Molecular FormulaC16H13FN2O5
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN2O5/c17-13-4-2-1-3-12(13)8-18-16(21)10-24-15-6-5-11(9-20)7-14(15)19(22)23/h1-7,9H,8,10H2,(H,18,21)
InChIKeyTWLUFJDXNIKYCR-UHFFFAOYSA-N
XLogP2.24
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4-formyl-2-nitrophenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8641036
N-butyl-2-(4-formyl-2-nitrophenoxy)acetamide
CID 40691331
2-(4-formyl-2-nitrophenoxy)-N-hexylacetamide
CID 8641057
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
2-(4-formyl-2-nitrophenoxy)acetic acid
CID 4763784
4-[(2-fluorophenyl)methylamino]-3-nitrobenzaldehyde
CID 9112520
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(2-nitrophenyl)methyl]acetamide
CID 87004905
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide (CID 8641124) is N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide is O=Cc1ccc(OCC(=O)NCc2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
The InChIKey is TWLUFJDXNIKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5/c17-13-4-2-1-3-12(13)8-18-16(21)10-24-15-6-5-11(9-20)7-14(15)19(22)23/h1-7,9H,8,10H2,(H,18,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide?
N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide has a molecular weight of 332.29 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-formyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8641124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).