4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

C20H22FNO3 — CID 92757640

IUPAC4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H]2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C20H22FNO3/c1-2-3-10-24-17-7-4-14(5-8-17)20(23)22-13-18-12-15-11-16(21)6-9-19(15)25-18/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyULCLKPXTRIBQAI-SFHVURJKSA-N
MW343.40 g/mol
LogP3.74
Rot. Bonds7

About 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (PubChem CID 92757640) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
PubChem CID92757640
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H]2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C20H22FNO3/c1-2-3-10-24-17-7-4-14(5-8-17)20(23)22-13-18-12-15-11-16(21)6-9-19(15)25-18/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyULCLKPXTRIBQAI-SFHVURJKSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46089367
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46090164
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 92757195
1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
CID 66362964
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
4-bromo-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 92758303
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92767700
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (CID 92757640) is 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is CCCCOc1ccc(C(=O)NC[C@@H]2Cc3cc(F)ccc3O2)cc1.
What is the InChIKey of 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The InChIKey is ULCLKPXTRIBQAI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-2-3-10-24-17-7-4-14(5-8-17)20(23)22-13-18-12-15-11-16(21)6-9-19(15)25-18/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is sourced from PubChem (CID 92757640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).