2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C16H16F3N3O3 — CID 8756496

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyKJDXSVBAUYQKFN-AWEZNQCLSA-N
MW355.32 g/mol
LogP2.35
Rot. Bonds6

About 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8756496) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8756496
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyKJDXSVBAUYQKFN-AWEZNQCLSA-N
XLogP2.35
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602
[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8756495
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-naphthalen-1-ylacetamide
CID 8695978

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8756496) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CN[C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is KJDXSVBAUYQKFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/t14-/m0/s1.
What are the key properties of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 355.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8756496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).