N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide

C19H16ClFN2O4 — CID 7200193

IUPACN-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCCOCC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H16ClFN2O4/c1-2-26-10-16(24)23-17-12-5-3-4-6-15(12)27-18(17)19(25)22-11-7-8-14(21)13(20)9-11/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIUQQIDGDXKLFGM-UHFFFAOYSA-N
MW390.80 g/mol
LogP4.45
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 7200193) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID7200193
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCCOCC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H16ClFN2O4/c1-2-26-10-16(24)23-17-12-5-3-4-6-15(12)27-18(17)19(25)22-11-7-8-14(21)13(20)9-11/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIUQQIDGDXKLFGM-UHFFFAOYSA-N
XLogP4.45
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
CID 7160080
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
3-[(2-cyclopentylacetyl)amino]-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501903

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide (CID 7200193) is N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide is CCOCC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is IUQQIDGDXKLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-2-26-10-16(24)23-17-12-5-3-4-6-15(12)27-18(17)19(25)22-11-7-8-14(21)13(20)9-11/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 390.80 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7200193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).