N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C20H16ClFN2O4 — CID 46469629

IUPACN-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)COc2ccccc2Cl)ccc1F
InChIInChI=1S/C20H16ClFN2O4/c1-12-14(8-9-27-12)20(26)24-17-10-13(6-7-16(17)22)23-19(25)11-28-18-5-3-2-4-15(18)21/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCHUWAEIDWZTKTC-UHFFFAOYSA-N
MW402.81 g/mol
LogP4.65
Rot. Bonds6

About N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 46469629) has the molecular formula C20H16ClFN2O4 and a molecular weight of 402.81 g/mol. Its IUPAC name is N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID46469629
Molecular FormulaC20H16ClFN2O4
Molecular Weight402.81 g/mol
Exact Mass402.08
IUPAC NameN-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)COc2ccccc2Cl)ccc1F
InChIInChI=1S/C20H16ClFN2O4/c1-12-14(8-9-27-12)20(26)24-17-10-13(6-7-16(17)22)23-19(25)11-28-18-5-3-2-4-15(18)21/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCHUWAEIDWZTKTC-UHFFFAOYSA-N
XLogP4.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
N-(5-amino-2-fluorophenyl)-2-(2-chlorophenoxy)acetamide
CID 16783197
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55913957
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55701949
N-[2-fluoro-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]phenyl]-2-methylfuran-3-carboxamide
CID 46469741
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 46469629) is N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)COc2ccccc2Cl)ccc1F.
What is the InChIKey of N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is CHUWAEIDWZTKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4/c1-12-14(8-9-27-12)20(26)24-17-10-13(6-7-16(17)22)23-19(25)11-28-18-5-3-2-4-15(18)21/h2-10H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 402.81 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 46469629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).