2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19FN2O2 — CID 106607793

IUPAC2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-4-3-7-16-10)14(18)12-6-5-11(19-2)8-13(12)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyYLQMMNGOHOPFEH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds4

About 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607793) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607793
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-4-3-7-16-10)14(18)12-6-5-11(19-2)8-13(12)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyYLQMMNGOHOPFEH-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609970
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607911
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-hydroxy-3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607936
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607793) is 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(C)CC2CCCN2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is YLQMMNGOHOPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-10-4-3-7-16-10)14(18)12-6-5-11(19-2)8-13(12)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.66, 4 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-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106607793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).