N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C17H17F2N3O4 — CID 9225176

IUPACN-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O4/c1-10(12-5-4-11(18)7-13(12)19)22-16(24)9-20-15(23)8-21-17(25)14-3-2-6-26-14/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyRRDJJGSSISESRM-JTQLQIEISA-N
MW365.34 g/mol
LogP1.28
Rot. Bonds7

About N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9225176) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9225176
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC NameN-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O4/c1-10(12-5-4-11(18)7-13(12)19)22-16(24)9-20-15(23)8-21-17(25)14-3-2-6-26-14/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t10-/m0/s1
InChIKeyRRDJJGSSISESRM-JTQLQIEISA-N
XLogP1.28
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[3-[1-(2,4-difluorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55821382
N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162418
N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624
N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396618
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9225176) is N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is RRDJJGSSISESRM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-10(12-5-4-11(18)7-13(12)19)22-16(24)9-20-15(23)8-21-17(25)14-3-2-6-26-14/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t10-/m0/s1.
What are the key properties of N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9225176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).