N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

C13H18F2N2O3 — CID 94825823

IUPACN-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)c1ccoc1
InChIInChI=1S/C13H18F2N2O3/c1-3-5-17(7-11(14)15)13(19)9(2)16-12(18)10-4-6-20-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyLTQKWCYHKYDMAY-SECBINFHSA-N
MW288.29 g/mol
LogP1.90
Rot. Bonds7

About N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94825823) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94825823
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC NameN-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)c1ccoc1
InChIInChI=1S/C13H18F2N2O3/c1-3-5-17(7-11(14)15)13(19)9(2)16-12(18)10-4-6-20-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyLTQKWCYHKYDMAY-SECBINFHSA-N
XLogP1.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94825823) is N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is CCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)c1ccoc1.
What is the InChIKey of N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is LTQKWCYHKYDMAY-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-3-5-17(7-11(14)15)13(19)9(2)16-12(18)10-4-6-20-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2,2-difluoroethyl(propyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94825823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).