2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide

C19H27FN2O2 — CID 91770086

IUPAC2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(F)c1C(=O)NCC1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2/c1-24-16-9-7-8-15(20)17(16)18(23)21-14-19(10-3-2-4-11-19)22-12-5-6-13-22/h7-9H,2-6,10-14H2,1H3,(H,21,23)
InChIKeyKAJAYHOILIEPNW-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.36
Rot. Bonds5

About 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide

2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 91770086) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID91770086
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(F)c1C(=O)NCC1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2/c1-24-16-9-7-8-15(20)17(16)18(23)21-14-19(10-3-2-4-11-19)22-12-5-6-13-22/h7-9H,2-6,10-14H2,1H3,(H,21,23)
InChIKeyKAJAYHOILIEPNW-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide (CID 91770086) is 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide is COc1cccc(F)c1C(=O)NCC1(N2CCCC2)CCCCC1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is KAJAYHOILIEPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-16-9-7-8-15(20)17(16)18(23)21-14-19(10-3-2-4-11-19)22-12-5-6-13-22/h7-9H,2-6,10-14H2,1H3,(H,21,23).
What are the key properties of 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 334.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 91770086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).