5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C20H19Cl2NO3 — CID 51065321

IUPAC5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC(C)Oc3ccc(Cl)cc3)c(C)c2cc1Cl
InChIInChI=1S/C20H19Cl2NO3/c1-11-8-18-16(9-17(11)22)13(3)19(26-18)20(24)23-10-12(2)25-15-6-4-14(21)5-7-15/h4-9,12H,10H2,1-3H3,(H,23,24)
InChIKeyYXUHDSSCKWPEJA-UHFFFAOYSA-N
MW392.28 g/mol
LogP5.55
Rot. Bonds5

About 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 51065321) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID51065321
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCC(C)Oc3ccc(Cl)cc3)c(C)c2cc1Cl
InChIInChI=1S/C20H19Cl2NO3/c1-11-8-18-16(9-17(11)22)13(3)19(26-18)20(24)23-10-12(2)25-15-6-4-14(21)5-7-15/h4-9,12H,10H2,1-3H3,(H,23,24)
InChIKeyYXUHDSSCKWPEJA-UHFFFAOYSA-N
XLogP5.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.28
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 40776142
5-chloro-N-(3,3-dimethyl-2-oxobutyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95753622
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852712
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573121
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573124
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
5-chloro-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35767540
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 110280223
5-[2-(4-chlorophenoxy)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 51065321) is 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NCC(C)Oc3ccc(Cl)cc3)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is YXUHDSSCKWPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-11-8-18-16(9-17(11)22)13(3)19(26-18)20(24)23-10-12(2)25-15-6-4-14(21)5-7-15/h4-9,12H,10H2,1-3H3,(H,23,24).
What are the key properties of 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 392.28 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorophenoxy)propyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51065321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).