(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

C16H22F3N3O2 — CID 124854398

IUPAC(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCC(C)[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccc(F)cc1F
InChIInChI=1S/C16H22F3N3O2/c1-9(2)14(12-5-4-11(18)8-13(12)19)22-16(24)21-10(3)15(23)20-7-6-17/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-,14+/m1/s1
InChIKeyXERYYPOIPKEHAI-YGRLFVJLSA-N
MW345.37 g/mol
LogP2.44
Rot. Bonds7

About (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (PubChem CID 124854398) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
PubChem CID124854398
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCC(C)[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccc(F)cc1F
InChIInChI=1S/C16H22F3N3O2/c1-9(2)14(12-5-4-11(18)8-13(12)19)22-16(24)21-10(3)15(23)20-7-6-17/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-,14+/m1/s1
InChIKeyXERYYPOIPKEHAI-YGRLFVJLSA-N
XLogP2.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124844009
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75522387
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
3-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122009561
N-(2-fluoroethyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylcarbamoylamino]propanamide
CID 119051460
(2S)-N-(2-fluoroethyl)-2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]propanamide
CID 124843702
1-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453811
5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide
CID 120638122
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (CID 124854398) is (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is CC(C)[C@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The InChIKey is XERYYPOIPKEHAI-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-9(2)14(12-5-4-11(18)8-13(12)19)22-16(24)21-10(3)15(23)20-7-6-17/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-,14+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 124854398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).