N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide

C20H18ClNO4 — CID 9021349

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1
InChIInChI=1S/C20H18ClNO4/c1-24-15-7-9-17(19(11-15)25-2)20(23)22-12-16-8-10-18(26-16)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZWCWLERHWLRXEI-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.55
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 9021349) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID9021349
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1
InChIInChI=1S/C20H18ClNO4/c1-24-15-7-9-17(19(11-15)25-2)20(23)22-12-16-8-10-18(26-16)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZWCWLERHWLRXEI-UHFFFAOYSA-N
XLogP4.55
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6109398
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-5-chloro-2-methoxybenzamide
CID 17334292
2,4-dimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867492
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 115369253
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 26042056

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide (CID 9021349) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is ZWCWLERHWLRXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-24-15-7-9-17(19(11-15)25-2)20(23)22-12-16-8-10-18(26-16)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 371.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 9021349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).