5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide

C27H26ClNO3 — CID 15605048

IUPAC5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)NCc2cccc3ccccc23)o1
InChIInChI=1S/C27H26ClNO3/c1-18(2)17-31-25-12-10-22(28)14-21(25)15-23-11-13-26(32-23)27(30)29-16-20-8-5-7-19-6-3-4-9-24(19)20/h3-14,18H,15-17H2,1-2H3,(H,29,30)
InChIKeyAXMJOUNKLBXZFA-UHFFFAOYSA-N
MW447.96 g/mol
LogP6.64
Rot. Bonds8

About 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide

5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide (PubChem CID 15605048) has the molecular formula C27H26ClNO3 and a molecular weight of 447.96 g/mol. Its IUPAC name is 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
PubChem CID15605048
Molecular FormulaC27H26ClNO3
Molecular Weight447.96 g/mol
Exact Mass447.16
IUPAC Name5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)NCc2cccc3ccccc23)o1
InChIInChI=1S/C27H26ClNO3/c1-18(2)17-31-25-12-10-22(28)14-21(25)15-23-11-13-26(32-23)27(30)29-16-20-8-5-7-19-6-3-4-9-24(19)20/h3-14,18H,15-17H2,1-2H3,(H,29,30)
InChIKeyAXMJOUNKLBXZFA-UHFFFAOYSA-N
XLogP6.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]furan-2-carboxylate;ethyl 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxylate
CID 158064524
N-(naphthalen-1-ylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
methyl 2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole-4-carboxylate
CID 69184599
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
tert-butyl-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]carbamic acid
CID 69243804
(6-bromo-1H-benzimidazol-2-yl)-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]methanone;hydrochloride
CID 15605585
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
[4-chloro-2-[[5-[(2,6-difluorophenyl)carbamoyl]furan-2-yl]methyl]phenyl] acetate
CID 59845829
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
N-(2-bromophenyl)-5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-carboxamide
CID 71051921

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide (CID 15605048) is 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide is CC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)NCc2cccc3ccccc23)o1.
What is the InChIKey of 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The InChIKey is AXMJOUNKLBXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClNO3/c1-18(2)17-31-25-12-10-22(28)14-21(25)15-23-11-13-26(32-23)27(30)29-16-20-8-5-7-19-6-3-4-9-24(19)20/h3-14,18H,15-17H2,1-2H3,(H,29,30).
What are the key properties of 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide has a molecular weight of 447.96 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 15605048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).