4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide

C17H17ClFNO3 — CID 110008175

IUPAC4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCc1ccc(F)c(CO)c1
InChIInChI=1S/C17H17ClFNO3/c1-2-23-16-8-13(18)4-5-14(16)17(22)20-9-11-3-6-15(19)12(7-11)10-21/h3-8,21H,2,9-10H2,1H3,(H,20,22)
InChIKeyVWBQNXVVOXSEHO-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.30
Rot. Bonds6

About 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide

4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 110008175) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID110008175
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)NCc1ccc(F)c(CO)c1
InChIInChI=1S/C17H17ClFNO3/c1-2-23-16-8-13(18)4-5-14(16)17(22)20-9-11-3-6-15(19)12(7-11)10-21/h3-8,21H,2,9-10H2,1H3,(H,20,22)
InChIKeyVWBQNXVVOXSEHO-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75387770
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
CID 120522449
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide (CID 110008175) is 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide is CCOc1cc(Cl)ccc1C(=O)NCc1ccc(F)c(CO)c1.
What is the InChIKey of 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is VWBQNXVVOXSEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-2-23-16-8-13(18)4-5-14(16)17(22)20-9-11-3-6-15(19)12(7-11)10-21/h3-8,21H,2,9-10H2,1H3,(H,20,22).
What are the key properties of 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide?
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 337.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 110008175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).