2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C18H21FN2O2 — CID 34218990

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN(Cc2ccco2)C2CC2)ccc1F
InChIInChI=1S/C18H21FN2O2/c1-13-9-14(4-7-17(13)19)10-20-18(22)12-21(15-5-6-15)11-16-3-2-8-23-16/h2-4,7-9,15H,5-6,10-12H2,1H3,(H,20,22)
InChIKeyLZWMKOXPDFYJPA-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.01
Rot. Bonds7

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 34218990) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID34218990
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN(Cc2ccco2)C2CC2)ccc1F
InChIInChI=1S/C18H21FN2O2/c1-13-9-14(4-7-17(13)19)10-20-18(22)12-21(15-5-6-15)11-16-3-2-8-23-16/h2-4,7-9,15H,5-6,10-12H2,1H3,(H,20,22)
InChIKeyLZWMKOXPDFYJPA-UHFFFAOYSA-N
XLogP3.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 107453632
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55828900
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 134046292
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30825293
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 34218990) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is Cc1cc(CNC(=O)CN(Cc2ccco2)C2CC2)ccc1F.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is LZWMKOXPDFYJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-9-14(4-7-17(13)19)10-20-18(22)12-21(15-5-6-15)11-16-3-2-8-23-16/h2-4,7-9,15H,5-6,10-12H2,1H3,(H,20,22).
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 34218990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).