3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide

C24H20ClNO3 — CID 67797208

IUPAC3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc(-c3ccc(Cl)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C24H20ClNO3/c1-15-3-12-20-21(13-15)22(17-6-8-18(25)9-7-17)29-23(20)24(27)26-14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyOYJHISIYVBTGRV-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.00
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide

3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide (PubChem CID 67797208) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide
PubChem CID67797208
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2oc(-c3ccc(Cl)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C24H20ClNO3/c1-15-3-12-20-21(13-15)22(17-6-8-18(25)9-7-17)29-23(20)24(27)26-14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyOYJHISIYVBTGRV-UHFFFAOYSA-N
XLogP6.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide (CID 67797208) is 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide is COc1ccc(CNC(=O)c2oc(-c3ccc(Cl)cc3)c3cc(C)ccc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide?
The InChIKey is OYJHISIYVBTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-15-3-12-20-21(13-15)22(17-6-8-18(25)9-7-17)29-23(20)24(27)26-14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide?
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide has a molecular weight of 405.88 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-2-benzofuran-1-carboxamide is sourced from PubChem (CID 67797208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).