N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide

C20H18ClNO3 — CID 46674267

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C20H18ClNO3/c1-24-13-14-3-2-4-16(11-14)20(23)22-12-18-9-10-19(25-18)15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyQDKMPDCQWVFAOR-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.68
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide (PubChem CID 46674267) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
PubChem CID46674267
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C20H18ClNO3/c1-24-13-14-3-2-4-16(11-14)20(23)22-12-18-9-10-19(25-18)15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyQDKMPDCQWVFAOR-UHFFFAOYSA-N
XLogP4.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 31515588
N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46410027
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide (CID 46674267) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide?
The InChIKey is QDKMPDCQWVFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-24-13-14-3-2-4-16(11-14)20(23)22-12-18-9-10-19(25-18)15-5-7-17(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide has a molecular weight of 355.82 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 46674267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).