2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide

C18H19FN2O4 — CID 138558880

IUPAC2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide
SMILESCOc1ccc(CNC(=O)NC(=O)C(C)(F)Oc2ccccc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-18(19,25-15-6-4-3-5-7-15)16(22)21-17(23)20-12-13-8-10-14(24-2)11-9-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyGRXOETUVWALTTM-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.79
Rot. Bonds6

About 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide

2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide (PubChem CID 138558880) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide
PubChem CID138558880
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide
SMILESCOc1ccc(CNC(=O)NC(=O)C(C)(F)Oc2ccccc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-18(19,25-15-6-4-3-5-7-15)16(22)21-17(23)20-12-13-8-10-14(24-2)11-9-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyGRXOETUVWALTTM-UHFFFAOYSA-N
XLogP2.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-[(4-methoxyphenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553839
2-hydroxy-N-[[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,2-diphenylacetamide chloride
CID 10005142
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide?
The IUPAC name of 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide (CID 138558880) is 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide.
What is the SMILES notation for 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide?
The canonical SMILES for 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide is COc1ccc(CNC(=O)NC(=O)C(C)(F)Oc2ccccc2)cc1.
What is the InChIKey of 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide?
The InChIKey is GRXOETUVWALTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-18(19,25-15-6-4-3-5-7-15)16(22)21-17(23)20-12-13-8-10-14(24-2)11-9-13/h3-11H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide?
2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide has a molecular weight of 346.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide is sourced from PubChem (CID 138558880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).