N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

C26H20ClNO4 — CID 19454982

IUPACN-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)o1
InChIInChI=1S/C26H20ClNO4/c1-17-7-5-6-10-23(17)31-16-20-12-14-24(32-20)26(30)28-22-13-11-19(27)15-21(22)25(29)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUIPQKQLOGVKVEI-UHFFFAOYSA-N
MW445.90 g/mol
LogP6.30
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454982) has the molecular formula C26H20ClNO4 and a molecular weight of 445.90 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19454982
Molecular FormulaC26H20ClNO4
Molecular Weight445.90 g/mol
Exact Mass445.11
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)o1
InChIInChI=1S/C26H20ClNO4/c1-17-7-5-6-10-23(17)31-16-20-12-14-24(32-20)26(30)28-22-13-11-19(27)15-21(22)25(29)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUIPQKQLOGVKVEI-UHFFFAOYSA-N
XLogP6.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.90
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251
N-(2-benzoyl-4-chlorophenyl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461569
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277363
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19454982) is N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)o1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is UIPQKQLOGVKVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO4/c1-17-7-5-6-10-23(17)31-16-20-12-14-24(32-20)26(30)28-22-13-11-19(27)15-21(22)25(29)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 445.90 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).