N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

C19H16ClNO3 — CID 26014402

IUPACN-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1occc1COc1ccccc1
InChIInChI=1S/C19H16ClNO3/c20-17-9-5-4-6-14(17)12-21-19(22)18-15(10-11-23-18)13-24-16-7-2-1-3-8-16/h1-11H,12-13H2,(H,21,22)
InChIKeyVZJWBQHPJALGRB-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.44
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 26014402) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID26014402
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1occc1COc1ccccc1
InChIInChI=1S/C19H16ClNO3/c20-17-9-5-4-6-14(17)12-21-19(22)18-15(10-11-23-18)13-24-16-7-2-1-3-8-16/h1-11H,12-13H2,(H,21,22)
InChIKeyVZJWBQHPJALGRB-UHFFFAOYSA-N
XLogP4.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 26014402) is N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is O=C(NCc1ccccc1Cl)c1occc1COc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is VZJWBQHPJALGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-17-9-5-4-6-14(17)12-21-19(22)18-15(10-11-23-18)13-24-16-7-2-1-3-8-16/h1-11H,12-13H2,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 26014402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).