2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide

C17H18FNO3 — CID 86981158

IUPAC2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H18FNO3/c1-3-9-22-14-6-4-5-12(10-14)19-17(20)15-8-7-13(21-2)11-16(15)18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyJCSCBMODNRSPDI-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.88
Rot. Bonds6

About 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide

2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide (PubChem CID 86981158) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
PubChem CID86981158
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H18FNO3/c1-3-9-22-14-6-4-5-12(10-14)19-17(20)15-8-7-13(21-2)11-16(15)18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20)
InChIKeyJCSCBMODNRSPDI-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide (CID 86981158) is 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide?
The InChIKey is JCSCBMODNRSPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-3-9-22-14-6-4-5-12(10-14)19-17(20)15-8-7-13(21-2)11-16(15)18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide?
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 86981158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).