2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide

C15H13F4N3O3 — CID 60598074

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)NCc1ccco1
InChIInChI=1S/C15H13F4N3O3/c16-12-4-3-9(6-11(12)15(17,18)19)22-14(24)21-8-13(23)20-7-10-2-1-5-25-10/h1-6H,7-8H2,(H,20,23)(H2,21,22,24)
InChIKeyUFLPPDASHLNJMX-UHFFFAOYSA-N
MW359.28 g/mol
LogP2.88
Rot. Bonds5

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide

2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 60598074) has the molecular formula C15H13F4N3O3 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID60598074
Molecular FormulaC15H13F4N3O3
Molecular Weight359.28 g/mol
Exact Mass359.09
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)NCc1ccco1
InChIInChI=1S/C15H13F4N3O3/c16-12-4-3-9(6-11(12)15(17,18)19)22-14(24)21-8-13(23)20-7-10-2-1-5-25-10/h1-6H,7-8H2,(H,20,23)(H2,21,22,24)
InChIKeyUFLPPDASHLNJMX-UHFFFAOYSA-N
XLogP2.88
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 61227663
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
CID 49119992
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 9080417

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide (CID 60598074) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)NCc1ccco1.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UFLPPDASHLNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O3/c16-12-4-3-9(6-11(12)15(17,18)19)22-14(24)21-8-13(23)20-7-10-2-1-5-25-10/h1-6H,7-8H2,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 359.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60598074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).