3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide

C24H20Cl3N3O4 — CID 22734461

IUPAC3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCC2CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C24H20Cl3N3O4/c1-33-19-7-6-15(24(32)30-22-17(26)10-28-11-18(22)27)21-14(12-34-23(19)21)8-20(31)29-9-13-4-2-3-5-16(13)25/h2-7,10-11,14H,8-9,12H2,1H3,(H,29,31)(H,28,30,32)
InChIKeyNPAFBYCBZZLBCO-UHFFFAOYSA-N
MW520.80 g/mol
LogP5.49
Rot. Bonds7

About 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide

3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 22734461) has the molecular formula C24H20Cl3N3O4 and a molecular weight of 520.80 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide
PubChem CID22734461
Molecular FormulaC24H20Cl3N3O4
Molecular Weight520.80 g/mol
Exact Mass519.05
IUPAC Name3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCC2CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C24H20Cl3N3O4/c1-33-19-7-6-15(24(32)30-22-17(26)10-28-11-18(22)27)21-14(12-34-23(19)21)8-20(31)29-9-13-4-2-3-5-16(13)25/h2-7,10-11,14H,8-9,12H2,1H3,(H,29,31)(H,28,30,32)
InChIKeyNPAFBYCBZZLBCO-UHFFFAOYSA-N
XLogP5.49
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.80
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 22734263
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide?
The IUPAC name of 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide (CID 22734461) is 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCC2CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide?
The InChIKey is NPAFBYCBZZLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O4/c1-33-19-7-6-15(24(32)30-22-17(26)10-28-11-18(22)27)21-14(12-34-23(19)21)8-20(31)29-9-13-4-2-3-5-16(13)25/h2-7,10-11,14H,8-9,12H2,1H3,(H,29,31)(H,28,30,32).
What are the key properties of 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide?
3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 520.80 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 22734461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).