4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide

C18H18FNO5 — CID 174676902

IUPAC4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide
SMILESCOc1cccc(C(O)(CC(=O)C(=O)N(C)O)c2ccccc2F)c1
InChIInChI=1S/C18H18FNO5/c1-20(24)17(22)16(21)11-18(23,14-8-3-4-9-15(14)19)12-6-5-7-13(10-12)25-2/h3-10,23-24H,11H2,1-2H3
InChIKeyLSVIOVDPSUWZSD-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.88
Rot. Bonds6

About 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide

4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide (PubChem CID 174676902) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide
PubChem CID174676902
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide
SMILESCOc1cccc(C(O)(CC(=O)C(=O)N(C)O)c2ccccc2F)c1
InChIInChI=1S/C18H18FNO5/c1-20(24)17(22)16(21)11-18(23,14-8-3-4-9-15(14)19)12-6-5-7-13(10-12)25-2/h3-10,23-24H,11H2,1-2H3
InChIKeyLSVIOVDPSUWZSD-UHFFFAOYSA-N
XLogP1.88
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
CID 22743437
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 134439236
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide (CID 174676902) is 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide is COc1cccc(C(O)(CC(=O)C(=O)N(C)O)c2ccccc2F)c1.
What is the InChIKey of 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide?
The InChIKey is LSVIOVDPSUWZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-20(24)17(22)16(21)11-18(23,14-8-3-4-9-15(14)19)12-6-5-7-13(10-12)25-2/h3-10,23-24H,11H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide?
4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide has a molecular weight of 347.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,4-dihydroxy-4-(3-methoxyphenyl)-N-methyl-2-oxobutanamide is sourced from PubChem (CID 174676902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).