3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide

C18H18ClNO4 — CID 38557928

IUPAC3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCO3)cc1OC
InChIInChI=1S/C18H18ClNO4/c1-3-23-17-14(19)9-12(10-16(17)22-2)18(21)20-13-4-5-15-11(8-13)6-7-24-15/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)
InChIKeyKZJNGKUZWDDLPQ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.93
Rot. Bonds5

About 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide

3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide (PubChem CID 38557928) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
PubChem CID38557928
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCO3)cc1OC
InChIInChI=1S/C18H18ClNO4/c1-3-23-17-14(19)9-12(10-16(17)22-2)18(21)20-13-4-5-15-11(8-13)6-7-24-15/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)
InChIKeyKZJNGKUZWDDLPQ-UHFFFAOYSA-N
XLogP3.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide 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-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide (CID 38557928) is 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCO3)cc1OC.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide?
The InChIKey is KZJNGKUZWDDLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-23-17-14(19)9-12(10-16(17)22-2)18(21)20-13-4-5-15-11(8-13)6-7-24-15/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide?
3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide has a molecular weight of 347.80 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 38557928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).