2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

C14H19FN2O2 — CID 113219291

IUPAC2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-19-11-4-5-12(13(15)10-11)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18)
InChIKeyVTUCKDFYUIPYFY-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds5

About 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 113219291) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID113219291
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-19-11-4-5-12(13(15)10-11)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18)
InChIKeyVTUCKDFYUIPYFY-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 113219291) is 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCCN2CCCC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VTUCKDFYUIPYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-11-4-5-12(13(15)10-11)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.66, 5 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-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 113219291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).