N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H18ClNO3 — CID 2511433

IUPACN-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H18ClNO3/c24-17-12-10-16(11-13-17)14-25-23(26)22-20(15-27-18-6-2-1-3-7-18)19-8-4-5-9-21(19)28-22/h1-13H,14-15H2,(H,25,26)
InChIKeyYJQRIKPCUSSZLE-UHFFFAOYSA-N
MW391.85 g/mol
LogP5.60
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 2511433) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID2511433
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H18ClNO3/c24-17-12-10-16(11-13-17)14-25-23(26)22-20(15-27-18-6-2-1-3-7-18)19-8-4-5-9-21(19)28-22/h1-13H,14-15H2,(H,25,26)
InChIKeyYJQRIKPCUSSZLE-UHFFFAOYSA-N
XLogP5.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 31945316
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 31515588

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 2511433) is N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YJQRIKPCUSSZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c24-17-12-10-16(11-13-17)14-25-23(26)22-20(15-27-18-6-2-1-3-7-18)19-8-4-5-9-21(19)28-22/h1-13H,14-15H2,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 391.85 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2511433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).