N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide

C16H16F3N3O4 — CID 86988142

IUPACN-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O4/c1-9(23)21-10-4-5-12(11(7-10)16(17,18)19)22-15(25)20-8-13(24)14-3-2-6-26-14/h2-7,13,24H,8H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyWOKCVLDAMQKUCG-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide

N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 86988142) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID86988142
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC NameN-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O4/c1-9(23)21-10-4-5-12(11(7-10)16(17,18)19)22-15(25)20-8-13(24)14-3-2-6-26-14/h2-7,13,24H,8H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyWOKCVLDAMQKUCG-UHFFFAOYSA-N
XLogP3.11
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

1-(2-(Furan-2-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71782647
4-[[2-(Furan-2-yl)-2-hydroxyethyl]amino]-3-(trifluoromethyl)benzonitrile
CID 71874969
4-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782554
N1-(2-(furan-2-yl)-2-hydroxypropyl)-N2-(2-methoxy-5-methylphenyl)oxalamide
CID 71782597
1-(2,6-Difluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]urea
CID 49670535
1-(4-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49676691
1-(2-Hydroxy-2-(5-methylfuran-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49676711
1-(2-Cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71781559
1-(3-(Furan-2-yl)-3-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71787778
N1-(2-(furan-2-yl)-2-methoxyethyl)-N2-(2-(trifluoromethyl)phenyl)oxalamide
CID 76150010
2-[(S)-1-hydroxy-1-methyl-2-(N-2,4-difluorophenylcarbamoylcarbonylamino)ethyl]furan
CID 95983700
2-[(S)-1-hydroxy-3-(N-3-fluoro-4-tolylcarbamoylcarbonylamino)propyl]furan
CID 96350297

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide (CID 86988142) is N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WOKCVLDAMQKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-9(23)21-10-4-5-12(11(7-10)16(17,18)19)22-15(25)20-8-13(24)14-3-2-6-26-14/h2-7,13,24H,8H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide?
N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86988142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).