4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide

C15H13ClFNO2 — CID 47311708

IUPAC4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-7-6-10(16)8-14(13)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQMGAMVDFGHVWFH-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide

4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide (PubChem CID 47311708) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
PubChem CID47311708
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-7-6-10(16)8-14(13)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQMGAMVDFGHVWFH-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide (CID 47311708) is 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide is CCOc1cccc(NC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide?
The InChIKey is QMGAMVDFGHVWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-2-20-12-5-3-4-11(9-12)18-15(19)13-7-6-10(16)8-14(13)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide?
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 4.13, 4 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)-2-fluorobenzamide is sourced from PubChem (CID 47311708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).