N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide

C21H19ClN2O3 — CID 9120196

IUPACN-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN2O3/c22-17-8-6-16(7-9-17)19-11-10-18(27-19)13-23-21(26)14-24-20(25)12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,23,26)(H,24,25)
InChIKeyRFYIXHANLHWXGV-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 9120196) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
PubChem CID9120196
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN2O3/c22-17-8-6-16(7-9-17)19-11-10-18(27-19)13-23-21(26)14-24-20(25)12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,23,26)(H,24,25)
InChIKeyRFYIXHANLHWXGV-UHFFFAOYSA-N
XLogP3.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
CID 9021360
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9119889
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917811
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide
CID 55565805
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 31515588

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide (CID 9120196) is N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide is O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is RFYIXHANLHWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-17-8-6-16(7-9-17)19-11-10-18(27-19)13-23-21(26)14-24-20(25)12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 382.85 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9120196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).