2,4-difluoro-N-(4-propoxyphenyl)benzamide

C16H15F2NO2 — CID 17178087

IUPAC2,4-difluoro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyMLMFMGGWNHSEQX-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.01
Rot. Bonds5

About 2,4-difluoro-N-(4-propoxyphenyl)benzamide

2,4-difluoro-N-(4-propoxyphenyl)benzamide (PubChem CID 17178087) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-propoxyphenyl)benzamide
PubChem CID17178087
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,4-difluoro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyMLMFMGGWNHSEQX-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
CID 115299069
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(4-propoxyphenyl)benzamide (CID 17178087) is 2,4-difluoro-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-(4-propoxyphenyl)benzamide?
The InChIKey is MLMFMGGWNHSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 2,4-difluoro-N-(4-propoxyphenyl)benzamide?
2,4-difluoro-N-(4-propoxyphenyl)benzamide has a molecular weight of 291.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 17178087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).