3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

C14H19FN2O2 — CID 104955125

IUPAC3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC[C@@H]2CCCN2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-5-4-10(9-12(13)15)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRFPRTEYVBZQTFF-NSHDSACASA-N
MW266.32 g/mol
LogP1.71
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104955125) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104955125
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC[C@@H]2CCCN2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-5-4-10(9-12(13)15)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRFPRTEYVBZQTFF-NSHDSACASA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 118770252

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (CID 104955125) is 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is COc1ccc(C(=O)NCC[C@@H]2CCCN2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is RFPRTEYVBZQTFF-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-5-4-10(9-12(13)15)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104955125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).