5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide

C18H19Cl2NO4 — CID 95753507

IUPAC5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H19Cl2NO4/c1-18(2,3)15(22)9-21-17(23)14-8-7-11(25-14)10-24-13-6-4-5-12(19)16(13)20/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyZFCIUQFUOLSASH-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.51
Rot. Bonds6

About 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide

5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide (PubChem CID 95753507) has the molecular formula C18H19Cl2NO4 and a molecular weight of 384.26 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
PubChem CID95753507
Molecular FormulaC18H19Cl2NO4
Molecular Weight384.26 g/mol
Exact Mass383.07
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H19Cl2NO4/c1-18(2,3)15(22)9-21-17(23)14-8-7-11(25-14)10-24-13-6-4-5-12(19)16(13)20/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyZFCIUQFUOLSASH-UHFFFAOYSA-N
XLogP4.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
ethyl (2R)-2-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19415733
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide (CID 95753507) is 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide is CC(C)(C)C(=O)CNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide?
The InChIKey is ZFCIUQFUOLSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4/c1-18(2,3)15(22)9-21-17(23)14-8-7-11(25-14)10-24-13-6-4-5-12(19)16(13)20/h4-8H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide?
5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide is sourced from PubChem (CID 95753507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).