2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

C21H20ClFN2O2 — CID 87029637

IUPAC2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C21H20ClFN2O2/c1-14(19-7-4-12-27-19)25-20(26)13-24-21(15-8-10-16(23)11-9-15)17-5-2-3-6-18(17)22/h2-12,14,21,24H,13H2,1H3,(H,25,26)
InChIKeyBZEKHQJCADFUBA-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.63
Rot. Bonds7

About 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 87029637) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID87029637
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C21H20ClFN2O2/c1-14(19-7-4-12-27-19)25-20(26)13-24-21(15-8-10-16(23)11-9-15)17-5-2-3-6-18(17)22/h2-12,14,21,24H,13H2,1H3,(H,25,26)
InChIKeyBZEKHQJCADFUBA-UHFFFAOYSA-N
XLogP4.63
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599003
2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18088222
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
2-[(4-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 166191856
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8755940

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (CID 87029637) is 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl)c1ccco1.
What is the InChIKey of 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is BZEKHQJCADFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-14(19-7-4-12-27-19)25-20(26)13-24-21(15-8-10-16(23)11-9-15)17-5-2-3-6-18(17)22/h2-12,14,21,24H,13H2,1H3,(H,25,26).
What are the key properties of 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 386.85 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 87029637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).