N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C23H22N2O3 — CID 33340647

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2cc3ccccc3o2)C2CC2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(24-18-9-10-18)16-7-5-15(6-8-16)14-25(19-11-12-19)23(27)21-13-17-3-1-2-4-20(17)28-21/h1-8,13,18-19H,9-12,14H2,(H,24,26)
InChIKeyLHYYJXHJMCCJHN-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.13
Rot. Bonds6

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 33340647) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID33340647
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2cc3ccccc3o2)C2CC2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(24-18-9-10-18)16-7-5-15(6-8-16)14-25(19-11-12-19)23(27)21-13-17-3-1-2-4-20(17)28-21/h1-8,13,18-19H,9-12,14H2,(H,24,26)
InChIKeyLHYYJXHJMCCJHN-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34279531
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
4-[[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 78852178
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 34179436

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 33340647) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2cc3ccccc3o2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LHYYJXHJMCCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(24-18-9-10-18)16-7-5-15(6-8-16)14-25(19-11-12-19)23(27)21-13-17-3-1-2-4-20(17)28-21/h1-8,13,18-19H,9-12,14H2,(H,24,26).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 33340647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).