N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C22H19ClFN3O6 — CID 55707606

IUPACN-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H19ClFN3O6/c1-11-14(5-6-32-11)22(30)27-17-9-13(3-4-16(17)24)26-21(29)12-7-15(23)20(18(8-12)31-2)33-10-19(25)28/h3-9H,10H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyBGDRBAJDOGKTHK-UHFFFAOYSA-N
MW475.86 g/mol
LogP3.76
Rot. Bonds8

About N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 55707606) has the molecular formula C22H19ClFN3O6 and a molecular weight of 475.86 g/mol. Its IUPAC name is N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID55707606
Molecular FormulaC22H19ClFN3O6
Molecular Weight475.86 g/mol
Exact Mass475.09
IUPAC NameN-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C22H19ClFN3O6/c1-11-14(5-6-32-11)22(30)27-17-9-13(3-4-16(17)24)26-21(29)12-7-15(23)20(18(8-12)31-2)33-10-19(25)28/h3-9H,10H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyBGDRBAJDOGKTHK-UHFFFAOYSA-N
XLogP3.76
TPSA132.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
CID 18138817

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 55707606) is N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is COc1cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is BGDRBAJDOGKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O6/c1-11-14(5-6-32-11)22(30)27-17-9-13(3-4-16(17)24)26-21(29)12-7-15(23)20(18(8-12)31-2)33-10-19(25)28/h3-9H,10H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 475.86 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55707606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).