4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

C17H18FNO3 — CID 111466311

IUPAC4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO3/c1-19(9-10-20)17(21)14-5-7-16(8-6-14)22-12-13-3-2-4-15(18)11-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyIFTHHBBXFYCBLC-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.47
Rot. Bonds6

About 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 111466311) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID111466311
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO3/c1-19(9-10-20)17(21)14-5-7-16(8-6-14)22-12-13-3-2-4-15(18)11-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyIFTHHBBXFYCBLC-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (CID 111466311) is 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is IFTHHBBXFYCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-19(9-10-20)17(21)14-5-7-16(8-6-14)22-12-13-3-2-4-15(18)11-13/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 111466311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).