N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H19FN2O3 — CID 87003571

IUPACN-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)c(F)c1
InChIInChI=1S/C23H19FN2O3/c1-14-9-10-19(18(24)11-14)26-22(27)16-6-4-7-17(12-16)25-23(28)21-13-15-5-2-3-8-20(15)29-21/h2-12,21H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyGDKDYYURGRIHBS-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.33
Rot. Bonds4

About N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 87003571) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID87003571
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC NameN-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)c(F)c1
InChIInChI=1S/C23H19FN2O3/c1-14-9-10-19(18(24)11-14)26-22(27)16-6-4-7-17(12-16)25-23(28)21-13-15-5-2-3-8-20(15)29-21/h2-12,21H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyGDKDYYURGRIHBS-UHFFFAOYSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792966
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
2-[1-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]cyclobutyl]acetic acid
CID 120522109

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 87003571) is N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)c(F)c1.
What is the InChIKey of N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GDKDYYURGRIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-14-9-10-19(18(24)11-14)26-22(27)16-6-4-7-17(12-16)25-23(28)21-13-15-5-2-3-8-20(15)29-21/h2-12,21H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87003571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).