4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide

C16H15ClFNO2 — CID 56920573

IUPAC4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H15ClFNO2/c1-2-21-13-5-3-4-11(8-13)10-19-16(20)14-7-6-12(17)9-15(14)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYXXNBMHVCKJRAT-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide

4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide (PubChem CID 56920573) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
PubChem CID56920573
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCCOc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H15ClFNO2/c1-2-21-13-5-3-4-11(8-13)10-19-16(20)14-7-6-12(17)9-15(14)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYXXNBMHVCKJRAT-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858
5-chloro-N-[(3-ethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625785
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide (CID 56920573) is 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide is CCOc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide?
The InChIKey is YXXNBMHVCKJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-21-13-5-3-4-11(8-13)10-19-16(20)14-7-6-12(17)9-15(14)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide?
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 56920573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).