N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide

C19H20N2O2 — CID 110827101

IUPACN-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NC(C)C)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)20-17-15-9-4-5-10-16(15)23-18(17)19(22)21-14-8-6-7-13(3)11-14/h4-12,20H,1-3H3,(H,21,22)
InChIKeySWYPTTDLOGXPRK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.81
Rot. Bonds4

About N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide

N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide (PubChem CID 110827101) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
PubChem CID110827101
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NC(C)C)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)20-17-15-9-4-5-10-16(15)23-18(17)19(22)21-14-8-6-7-13(3)11-14/h4-12,20H,1-3H3,(H,21,22)
InChIKeySWYPTTDLOGXPRK-UHFFFAOYSA-N
XLogP4.81
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110826674
N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110829952
5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 17010949
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3-methylphenyl)-3-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]amino]-1-benzofuran-2-carboxamide
CID 110828028
3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
CID 135785317
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide (CID 110827101) is N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3ccccc3c2NC(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide?
The InChIKey is SWYPTTDLOGXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)20-17-15-9-4-5-10-16(15)23-18(17)19(22)21-14-8-6-7-13(3)11-14/h4-12,20H,1-3H3,(H,21,22).
What are the key properties of N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide?
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110827101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).