5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide

C20H18ClNO4 — CID 1235920

IUPAC5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C20H18ClNO4/c1-13-7-9-18(24-2)16(11-13)22-20(23)19-10-8-14(26-19)12-25-17-6-4-3-5-15(17)21/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyBQXNBKAUGGYHHH-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.08
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide (PubChem CID 1235920) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
PubChem CID1235920
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C20H18ClNO4/c1-13-7-9-18(24-2)16(11-13)22-20(23)19-10-8-14(26-19)12-25-17-6-4-3-5-15(17)21/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyBQXNBKAUGGYHHH-UHFFFAOYSA-N
XLogP5.08
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 6874399

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide (CID 1235920) is 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
The InChIKey is BQXNBKAUGGYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-13-7-9-18(24-2)16(11-13)22-20(23)19-10-8-14(26-19)12-25-17-6-4-3-5-15(17)21/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1235920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).