[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate

C19H15Cl2NO4 — CID 70198733

IUPAC[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
SMILESCC(=O)OCc1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H15Cl2NO4/c1-10-13(9-25-11(2)23)12-5-3-8-16(18(12)26-10)22-19(24)17-14(20)6-4-7-15(17)21/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVPSRGONJUFINPS-UHFFFAOYSA-N
MW392.24 g/mol
LogP5.36
Rot. Bonds4

About [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate

[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate (PubChem CID 70198733) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate.

Molecular Properties

Compound Name[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
PubChem CID70198733
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Name[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
SMILESCC(=O)OCc1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C19H15Cl2NO4/c1-10-13(9-25-11(2)23)12-5-3-8-16(18(12)26-10)22-19(24)17-14(20)6-4-7-15(17)21/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVPSRGONJUFINPS-UHFFFAOYSA-N
XLogP5.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
CID 139721691
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
[8-[(2,6-dichlorobenzoyl)amino]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl acetate
CID 57093826
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83907915
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate
CID 66615979

Frequently Asked Questions

What is the IUPAC name of [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate?
The IUPAC name of [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate (CID 70198733) is [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate.
What is the SMILES notation for [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate?
The canonical SMILES for [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate is CC(=O)OCc1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate?
The InChIKey is VPSRGONJUFINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c1-10-13(9-25-11(2)23)12-5-3-8-16(18(12)26-10)22-19(24)17-14(20)6-4-7-15(17)21/h3-8H,9H2,1-2H3,(H,22,24).
What are the key properties of [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate?
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate has a molecular weight of 392.24 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate is sourced from PubChem (CID 70198733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).