4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide

C18H19FN2O3 — CID 60549875

IUPAC4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-20-18(23)13-8-10-14(11-9-13)21-17(22)7-4-12-24-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMKQMATJXUVXITM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.98
Rot. Bonds7

About 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide

4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide (PubChem CID 60549875) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
PubChem CID60549875
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-20-18(23)13-8-10-14(11-9-13)21-17(22)7-4-12-24-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMKQMATJXUVXITM-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
CID 7434033
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide (CID 60549875) is 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide?
The InChIKey is MKQMATJXUVXITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-20-18(23)13-8-10-14(11-9-13)21-17(22)7-4-12-24-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide?
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide is sourced from PubChem (CID 60549875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).