4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide

C18H19ClN2O3 — CID 119697401

IUPAC4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(N)cc1Cl)OC(C)C2
InChIInChI=1S/C18H19ClN2O3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-5-4-12(20)8-14(13)19/h4-5,7-10H,3,6,20H2,1-2H3,(H,21,22)
InChIKeyPWYXUNURWKCJDK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.90
Rot. Bonds4

About 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide

4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide (PubChem CID 119697401) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
PubChem CID119697401
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(N)cc1Cl)OC(C)C2
InChIInChI=1S/C18H19ClN2O3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-5-4-12(20)8-14(13)19/h4-5,7-10H,3,6,20H2,1-2H3,(H,21,22)
InChIKeyPWYXUNURWKCJDK-UHFFFAOYSA-N
XLogP3.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
CID 24529754
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
CID 43034709
4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
CID 167829951
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide
CID 24590384
5-cyclopropyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-3-carboxamide
CID 24668257
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide (CID 119697401) is 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide is CCOc1cc2c(cc1NC(=O)c1ccc(N)cc1Cl)OC(C)C2.
What is the InChIKey of 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The InChIKey is PWYXUNURWKCJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-23-17-7-11-6-10(2)24-16(11)9-15(17)21-18(22)13-5-4-12(20)8-14(13)19/h4-5,7-10H,3,6,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide is sourced from PubChem (CID 119697401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).