2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

C18H19Cl3N2O2 — CID 55837704

IUPAC2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl3N2O2/c19-12-8-15(20)18(16(21)9-12)22-17(24)11-23(13-4-1-2-5-13)10-14-6-3-7-25-14/h3,6-9,13H,1-2,4-5,10-11H2,(H,22,24)
InChIKeyHTLFUOKECKOYDV-UHFFFAOYSA-N
MW401.72 g/mol
LogP5.62
Rot. Bonds6

About 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 55837704) has the molecular formula C18H19Cl3N2O2 and a molecular weight of 401.72 g/mol. Its IUPAC name is 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID55837704
Molecular FormulaC18H19Cl3N2O2
Molecular Weight401.72 g/mol
Exact Mass400.05
IUPAC Name2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl3N2O2/c19-12-8-15(20)18(16(21)9-12)22-17(24)11-23(13-4-1-2-5-13)10-14-6-3-7-25-14/h3,6-9,13H,1-2,4-5,10-11H2,(H,22,24)
InChIKeyHTLFUOKECKOYDV-UHFFFAOYSA-N
XLogP5.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 55827232
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077887
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55828900

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 55837704) is 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is O=C(CN(Cc1ccco1)C1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is HTLFUOKECKOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2/c19-12-8-15(20)18(16(21)9-12)22-17(24)11-23(13-4-1-2-5-13)10-14-6-3-7-25-14/h3,6-9,13H,1-2,4-5,10-11H2,(H,22,24).
What are the key properties of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 401.72 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 55837704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).