N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C20H15Cl2FN2O3 — CID 55707274

IUPACN-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C20H15Cl2FN2O3/c1-11-15(6-7-28-11)20(27)25-18-10-14(4-5-17(18)23)24-19(26)8-12-2-3-13(21)9-16(12)22/h2-7,9-10H,8H2,1H3,(H,24,26)(H,25,27)
InChIKeyQWQCTQAYQGUBNU-UHFFFAOYSA-N
MW421.26 g/mol
LogP5.47
Rot. Bonds5

About N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 55707274) has the molecular formula C20H15Cl2FN2O3 and a molecular weight of 421.26 g/mol. Its IUPAC name is N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID55707274
Molecular FormulaC20H15Cl2FN2O3
Molecular Weight421.26 g/mol
Exact Mass420.04
IUPAC NameN-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C20H15Cl2FN2O3/c1-11-15(6-7-28-11)20(27)25-18-10-14(4-5-17(18)23)24-19(26)8-12-2-3-13(21)9-16(12)22/h2-7,9-10H,8H2,1H3,(H,24,26)(H,25,27)
InChIKeyQWQCTQAYQGUBNU-UHFFFAOYSA-N
XLogP5.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.26
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[2-fluoro-5-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 86890295
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55701949
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
N-[2-fluoro-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 46469741
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-[2-fluoro-5-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 55701855
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 55707274) is N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1F.
What is the InChIKey of N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is QWQCTQAYQGUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3/c1-11-15(6-7-28-11)20(27)25-18-10-14(4-5-17(18)23)24-19(26)8-12-2-3-13(21)9-16(12)22/h2-7,9-10H,8H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 421.26 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55707274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).