N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C22H18ClNO4 — CID 31515588

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)oc2ccccc12
InChIInChI=1S/C22H18ClNO4/c1-26-13-18-17-4-2-3-5-20(17)28-21(18)22(25)24-12-16-10-11-19(27-16)14-6-8-15(23)9-7-14/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyIWWLITGYEPZLIQ-UHFFFAOYSA-N
MW395.84 g/mol
LogP5.42
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 31515588) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID31515588
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)oc2ccccc12
InChIInChI=1S/C22H18ClNO4/c1-26-13-18-17-4-2-3-5-20(17)28-21(18)22(25)24-12-16-10-11-19(27-16)14-6-8-15(23)9-7-14/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyIWWLITGYEPZLIQ-UHFFFAOYSA-N
XLogP5.42
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18274142
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
1-[2-(4-chlorophenyl)ethyl]-3-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]thiourea
CID 9090778
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 31515588) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)oc2ccccc12.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IWWLITGYEPZLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-26-13-18-17-4-2-3-5-20(17)28-21(18)22(25)24-12-16-10-11-19(27-16)14-6-8-15(23)9-7-14/h2-11H,12-13H2,1H3,(H,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 395.84 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31515588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).