5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

C22H17FN2O4 — CID 42018104

IUPAC5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C22H17FN2O4/c1-13-17-11-15(23)6-9-18(17)29-20(13)22(27)24-12-14-4-7-16(8-5-14)25-21(26)19-3-2-10-28-19/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyLYEUFWYOQVDPRZ-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.66
Rot. Bonds5

About 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 42018104) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID42018104
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C22H17FN2O4/c1-13-17-11-15(23)6-9-18(17)29-20(13)22(27)24-12-14-4-7-16(8-5-14)25-21(26)19-3-2-10-28-19/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyLYEUFWYOQVDPRZ-UHFFFAOYSA-N
XLogP4.66
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 7709216
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 55775998
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616552
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 42018104) is 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LYEUFWYOQVDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c1-13-17-11-15(23)6-9-18(17)29-20(13)22(27)24-12-14-4-7-16(8-5-14)25-21(26)19-3-2-10-28-19/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42018104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).