N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

C20H18ClNO3 — CID 46689440

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO3/c1-14(15-6-5-7-17(21)12-15)22-20(23)19-16(10-11-24-19)13-25-18-8-3-2-4-9-18/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyFBMULGSHCOMDKV-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.00
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 46689440) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID46689440
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1occc1COc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO3/c1-14(15-6-5-7-17(21)12-15)22-20(23)19-16(10-11-24-19)13-25-18-8-3-2-4-9-18/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyFBMULGSHCOMDKV-UHFFFAOYSA-N
XLogP5.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 43071980
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
CID 46580364
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 46689440) is N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is CC(NC(=O)c1occc1COc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is FBMULGSHCOMDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-14(15-6-5-7-17(21)12-15)22-20(23)19-16(10-11-24-19)13-25-18-8-3-2-4-9-18/h2-12,14H,13H2,1H3,(H,22,23).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 46689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).