N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide

C22H21FN2O5 — CID 1176514

IUPACN-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O5/c1-3-28-19-13-17(25-22(27)18-6-5-11-30-18)20(29-4-2)12-16(19)24-21(26)14-7-9-15(23)10-8-14/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBBGLFYVWMXBVIV-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.72
Rot. Bonds8

About N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide

N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1176514) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1176514
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC NameN-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O5/c1-3-28-19-13-17(25-22(27)18-6-5-11-30-18)20(29-4-2)12-16(19)24-21(26)14-7-9-15(23)10-8-14/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBBGLFYVWMXBVIV-UHFFFAOYSA-N
XLogP4.72
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-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

ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
CID 1138763
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide (CID 1176514) is N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is BBGLFYVWMXBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-3-28-19-13-17(25-22(27)18-6-5-11-30-18)20(29-4-2)12-16(19)24-21(26)14-7-9-15(23)10-8-14/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1176514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).