N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide

C23H21ClN2O4 — CID 45166260

IUPACN-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2Cc3cc(Cl)cc(-c4ccncc4)c3O2)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-18-9-16(10-19(12-18)29-2)23(27)26-13-20-8-15-7-17(24)11-21(22(15)30-20)14-3-5-25-6-4-14/h3-7,9-12,20H,8,13H2,1-2H3,(H,26,27)
InChIKeyZSGOLBZIGDYMAO-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.15
Rot. Bonds6

About N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide

N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 45166260) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID45166260
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2Cc3cc(Cl)cc(-c4ccncc4)c3O2)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-18-9-16(10-19(12-18)29-2)23(27)26-13-20-8-15-7-17(24)11-21(22(15)30-20)14-3-5-25-6-4-14/h3-7,9-12,20H,8,13H2,1-2H3,(H,26,27)
InChIKeyZSGOLBZIGDYMAO-UHFFFAOYSA-N
XLogP4.15
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide (CID 45166260) is N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2Cc3cc(Cl)cc(-c4ccncc4)c3O2)c1.
What is the InChIKey of N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is ZSGOLBZIGDYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-28-18-9-16(10-19(12-18)29-2)23(27)26-13-20-8-15-7-17(24)11-21(22(15)30-20)14-3-5-25-6-4-14/h3-7,9-12,20H,8,13H2,1-2H3,(H,26,27).
What are the key properties of N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide?
N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 424.88 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 45166260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).