N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide

C19H19ClN2O2 — CID 110827128

IUPACN-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)CNc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-21-17-15-8-3-4-9-16(15)24-18(17)19(23)22-14-7-5-6-13(20)10-14/h3-10,12,21H,11H2,1-2H3,(H,22,23)
InChIKeyQWTFKOUEJSQOGG-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.41
Rot. Bonds5

About N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide

N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide (PubChem CID 110827128) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
PubChem CID110827128
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
SMILESCC(C)CNc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-21-17-15-8-3-4-9-16(15)24-18(17)19(23)22-14-7-5-6-13(20)10-14/h3-10,12,21H,11H2,1-2H3,(H,22,23)
InChIKeyQWTFKOUEJSQOGG-UHFFFAOYSA-N
XLogP5.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110826674
N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110827753
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-(3-chlorophenyl)-3-[[(2R)-oxolane-2-carbonyl]amino]-1-benzofuran-2-carboxamide
CID 7200167
N-[2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 2031281
N-(3-chlorophenyl)-3-[[2-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110829261
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
4-amino-N-(3-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668436

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide (CID 110827128) is N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide is CC(C)CNc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide?
The InChIKey is QWTFKOUEJSQOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12(2)11-21-17-15-8-3-4-9-16(15)24-18(17)19(23)22-14-7-5-6-13(20)10-14/h3-10,12,21H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide?
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110827128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).