N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C23H19FN2O4 — CID 55725736

IUPACN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H19FN2O4/c1-29-21-8-6-18(13-19(21)26-23(28)15-3-2-4-17(24)12-15)25-22(27)16-5-7-20-14(11-16)9-10-30-20/h2-8,11-13H,9-10H2,1H3,(H,25,27)(H,26,28)
InChIKeySKEOVJUDBWNPIP-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.27
Rot. Bonds5

About N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 55725736) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID55725736
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H19FN2O4/c1-29-21-8-6-18(13-19(21)26-23(28)15-3-2-4-17(24)12-15)25-22(27)16-5-7-20-14(11-16)9-10-30-20/h2-8,11-13H,9-10H2,1H3,(H,25,27)(H,26,28)
InChIKeySKEOVJUDBWNPIP-UHFFFAOYSA-N
XLogP4.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 38612951
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 55725736) is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SKEOVJUDBWNPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-29-21-8-6-18(13-19(21)26-23(28)15-3-2-4-17(24)12-15)25-22(27)16-5-7-20-14(11-16)9-10-30-20/h2-8,11-13H,9-10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 55725736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).