N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide

C16H14FNO3 — CID 154880178

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CO1
InChIInChI=1S/C16H14FNO3/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)9-18-16(19)15-10-20-15/h1-8,15H,9-10H2,(H,18,19)
InChIKeyNEAVCSMEUMIBTP-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.63
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide (PubChem CID 154880178) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
PubChem CID154880178
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CO1
InChIInChI=1S/C16H14FNO3/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)9-18-16(19)15-10-20-15/h1-8,15H,9-10H2,(H,18,19)
InChIKeyNEAVCSMEUMIBTP-UHFFFAOYSA-N
XLogP2.63
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123328566
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
CID 119758431
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
(1S,6R)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550137
(1S,6S)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550139
[3-(4-fluorophenoxy)-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methylcarbamic acid
CID 66616632
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide (CID 154880178) is N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CO1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide?
The InChIKey is NEAVCSMEUMIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)9-18-16(19)15-10-20-15/h1-8,15H,9-10H2,(H,18,19).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide is sourced from PubChem (CID 154880178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).