7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide

C19H18ClNO3 — CID 18113115

IUPAC7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)oc2c(Cl)cccc12
InChIInChI=1S/C19H18ClNO3/c1-13-15-9-6-10-16(20)18(15)24-17(13)19(22)21(2)11-12-23-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyVOIIZJLIIAFKAP-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.55
Rot. Bonds5

About 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide

7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide (PubChem CID 18113115) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide
PubChem CID18113115
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)oc2c(Cl)cccc12
InChIInChI=1S/C19H18ClNO3/c1-13-15-9-6-10-16(20)18(15)24-17(13)19(22)21(2)11-12-23-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyVOIIZJLIIAFKAP-UHFFFAOYSA-N
XLogP4.55
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide (CID 18113115) is 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CCOc2ccccc2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide?
The InChIKey is VOIIZJLIIAFKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-13-15-9-6-10-16(20)18(15)24-17(13)19(22)21(2)11-12-23-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide?
7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3-dimethyl-N-(2-phenoxyethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18113115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).