N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide

C15H10FN3O4 — CID 7434030

IUPACN-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1F
InChIInChI=1S/C15H10FN3O4/c16-12-3-1-2-4-14(12)23-9-15(20)18-13-6-5-11(19(21)22)7-10(13)8-17/h1-7H,9H2,(H,18,20)
InChIKeyTUHVFMQOYUFTDP-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.62
Rot. Bonds5

About N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide

N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide (PubChem CID 7434030) has the molecular formula C15H10FN3O4 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
PubChem CID7434030
Molecular FormulaC15H10FN3O4
Molecular Weight315.26 g/mol
Exact Mass315.07
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1F
InChIInChI=1S/C15H10FN3O4/c16-12-3-1-2-4-14(12)23-9-15(20)18-13-6-5-11(19(21)22)7-10(13)8-17/h1-7H,9H2,(H,18,20)
InChIKeyTUHVFMQOYUFTDP-UHFFFAOYSA-N
XLogP2.62
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725827
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23790997
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718394
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698532
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 4618740
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776210
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7490761

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide (CID 7434030) is N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1F.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is TUHVFMQOYUFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O4/c16-12-3-1-2-4-14(12)23-9-15(20)18-13-6-5-11(19(21)22)7-10(13)8-17/h1-7H,9H2,(H,18,20).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide?
N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 315.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7434030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).