3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C19H21FN2O2 — CID 17445967

IUPAC3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1F
InChIInChI=1S/C19H21FN2O2/c1-24-18-9-6-15(12-17(18)20)19(23)21-16-7-4-14(5-8-16)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyIYKRZVIZOIDMLZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.68
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 17445967) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID17445967
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1F
InChIInChI=1S/C19H21FN2O2/c1-24-18-9-6-15(12-17(18)20)19(23)21-16-7-4-14(5-8-16)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyIYKRZVIZOIDMLZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 3310069
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 17445967) is 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is IYKRZVIZOIDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-9-6-15(12-17(18)20)19(23)21-16-7-4-14(5-8-16)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 17445967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).