N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C21H20ClNO5 — CID 21047655

IUPACN-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)o2)c1
InChIInChI=1S/C21H20ClNO5/c1-25-15-5-8-18(26-2)13(10-15)11-16-6-9-20(28-16)21(24)23-14-4-7-19(27-3)17(22)12-14/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyXONLWUIWZCRAJG-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.80
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047655) has the molecular formula C21H20ClNO5 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047655
Molecular FormulaC21H20ClNO5
Molecular Weight401.85 g/mol
Exact Mass401.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)o2)c1
InChIInChI=1S/C21H20ClNO5/c1-25-15-5-8-18(26-2)13(10-15)11-16-6-9-20(28-16)21(24)23-14-4-7-19(27-3)17(22)12-14/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyXONLWUIWZCRAJG-UHFFFAOYSA-N
XLogP4.80
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047813
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047196
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
5-[(2,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 21046058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047655) is N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)o2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is XONLWUIWZCRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5/c1-25-15-5-8-18(26-2)13(10-15)11-16-6-9-20(28-16)21(24)23-14-4-7-19(27-3)17(22)12-14/h4-10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).