(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide

C17H20FN3O3 — CID 124854260

IUPAC(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccco1)C(=O)NCCF
InChIInChI=1S/C17H20FN3O3/c1-12(16(22)19-10-9-18)20-17(23)21-15(14-8-5-11-24-14)13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t12-,15-/m0/s1
InChIKeyWWDCNBAWLCSKMI-WFASDCNBSA-N
MW333.36 g/mol
LogP2.14
Rot. Bonds7

About (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide

(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide (PubChem CID 124854260) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
PubChem CID124854260
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
SMILESC[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccco1)C(=O)NCCF
InChIInChI=1S/C17H20FN3O3/c1-12(16(22)19-10-9-18)20-17(23)21-15(14-8-5-11-24-14)13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t12-,15-/m0/s1
InChIKeyWWDCNBAWLCSKMI-WFASDCNBSA-N
XLogP2.14
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
CID 65225161
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135
(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124844009
(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 104902855
(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide (CID 124854260) is (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide is C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccco1)C(=O)NCCF.
What is the InChIKey of (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide?
The InChIKey is WWDCNBAWLCSKMI-WFASDCNBSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(16(22)19-10-9-18)20-17(23)21-15(14-8-5-11-24-14)13-6-3-2-4-7-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t12-,15-/m0/s1.
What are the key properties of (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide?
(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide has a molecular weight of 333.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide is sourced from PubChem (CID 124854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).