2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide

C23H23Cl2N3O3 — CID 70199710

IUPAC2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3c4c(oc23)CCCC4)c1Cl
InChIInChI=1S/C23H23Cl2N3O3/c1-28(2)12-19(29)26-16-11-10-15(24)20(21(16)25)23(30)27-17-8-5-7-14-13-6-3-4-9-18(13)31-22(14)17/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDWOCFSWSKUKOMQ-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.37
Rot. Bonds5

About 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide

2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide (PubChem CID 70199710) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide
PubChem CID70199710
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Name2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3c4c(oc23)CCCC4)c1Cl
InChIInChI=1S/C23H23Cl2N3O3/c1-28(2)12-19(29)26-16-11-10-15(24)20(21(16)25)23(30)27-17-8-5-7-14-13-6-3-4-9-18(13)31-22(14)17/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDWOCFSWSKUKOMQ-UHFFFAOYSA-N
XLogP5.37
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide with MolForge

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Related Compounds

2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
CID 54033825
2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 596163
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol
CID 168637521
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
N-(3-acetyl-2-ethyl-1-benzofuran-7-yl)-2,6-dichloro-3-nitrobenzamide
CID 67695052
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide?
The IUPAC name of 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide (CID 70199710) is 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide?
The canonical SMILES for 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide is CN(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3c4c(oc23)CCCC4)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide?
The InChIKey is DWOCFSWSKUKOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c1-28(2)12-19(29)26-16-11-10-15(24)20(21(16)25)23(30)27-17-8-5-7-14-13-6-3-4-9-18(13)31-22(14)17/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide?
2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide has a molecular weight of 460.36 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide is sourced from PubChem (CID 70199710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).