N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C24H19FN2O4 — CID 166224450

IUPACN-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(F)cc(NC(=O)C2Cc3ccccc3O2)c1)C1Cc2ccccc2O1
InChIInChI=1S/C24H19FN2O4/c25-16-11-17(26-23(28)21-9-14-5-1-3-7-19(14)30-21)13-18(12-16)27-24(29)22-10-15-6-2-4-8-20(15)31-22/h1-8,11-13,21-22H,9-10H2,(H,26,28)(H,27,29)
InChIKeyLDYBOLIPDCVCDU-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.71
Rot. Bonds4

About N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 166224450) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID166224450
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(F)cc(NC(=O)C2Cc3ccccc3O2)c1)C1Cc2ccccc2O1
InChIInChI=1S/C24H19FN2O4/c25-16-11-17(26-23(28)21-9-14-5-1-3-7-19(14)30-21)13-18(12-16)27-24(29)22-10-15-6-2-4-8-20(15)31-22/h1-8,11-13,21-22H,9-10H2,(H,26,28)(H,27,29)
InChIKeyLDYBOLIPDCVCDU-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083240
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926742
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 166224450) is N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cc(F)cc(NC(=O)C2Cc3ccccc3O2)c1)C1Cc2ccccc2O1.
What is the InChIKey of N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LDYBOLIPDCVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c25-16-11-17(26-23(28)21-9-14-5-1-3-7-19(14)30-21)13-18(12-16)27-24(29)22-10-15-6-2-4-8-20(15)31-22/h1-8,11-13,21-22H,9-10H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166224450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).