2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide

C17H16FN3O3 — CID 94814028

IUPAC2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)N[C@H]1COc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-11-5-7-12(8-6-11)20-16(22)9-19-17(23)21-14-10-24-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,20,22)(H2,19,21,23)/t14-/m0/s1
InChIKeyFIXBSMDYLRAEOX-AWEZNQCLSA-N
MW329.33 g/mol
LogP2.20
Rot. Bonds4

About 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 94814028) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID94814028
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)N[C@H]1COc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-11-5-7-12(8-6-11)20-16(22)9-19-17(23)21-14-10-24-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,20,22)(H2,19,21,23)/t14-/m0/s1
InChIKeyFIXBSMDYLRAEOX-AWEZNQCLSA-N
XLogP2.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 110751651
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
CID 97016982
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
[2-(4-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 71823102
N-(4-fluorophenyl)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53013642
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65226384
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
CID 63378630

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 94814028) is 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide is O=C(CNC(=O)N[C@H]1COc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is FIXBSMDYLRAEOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-11-5-7-12(8-6-11)20-16(22)9-19-17(23)21-14-10-24-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,20,22)(H2,19,21,23)/t14-/m0/s1.
What are the key properties of 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 329.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 94814028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).