3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C15H21FN2O3 — CID 106613059

IUPAC3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCO)CC2CCCN2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14-5-4-11(9-13(14)16)15(20)18(7-8-19)10-12-3-2-6-17-12/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3
InChIKeyJGLAXRWEOAEOBV-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.02
Rot. Bonds6

About 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106613059) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106613059
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCO)CC2CCCN2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14-5-4-11(9-13(14)16)15(20)18(7-8-19)10-12-3-2-6-17-12/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3
InChIKeyJGLAXRWEOAEOBV-UHFFFAOYSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106613059) is 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CCO)CC2CCCN2)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is JGLAXRWEOAEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-21-14-5-4-11(9-13(14)16)15(20)18(7-8-19)10-12-3-2-6-17-12/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106613059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).