2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

C15H20F3N3O3 — CID 122157649

IUPAC2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCc1ccc(NC(=O)NC(C)C(=O)NCCF)cc1OCC(F)F
InChIInChI=1S/C15H20F3N3O3/c1-9-3-4-11(7-12(9)24-8-13(17)18)21-15(23)20-10(2)14(22)19-6-5-16/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyZYNJYPMKCZUTQS-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.23
Rot. Bonds8

About 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (PubChem CID 122157649) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
PubChem CID122157649
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCc1ccc(NC(=O)NC(C)C(=O)NCCF)cc1OCC(F)F
InChIInChI=1S/C15H20F3N3O3/c1-9-3-4-11(7-12(9)24-8-13(17)18)21-15(23)20-10(2)14(22)19-6-5-16/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyZYNJYPMKCZUTQS-UHFFFAOYSA-N
XLogP2.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976913
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide
CID 122157662
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
CID 111443385

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The IUPAC name of 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (CID 122157649) is 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is Cc1ccc(NC(=O)NC(C)C(=O)NCCF)cc1OCC(F)F.
What is the InChIKey of 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The InChIKey is ZYNJYPMKCZUTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-9-3-4-11(7-12(9)24-8-13(17)18)21-15(23)20-10(2)14(22)19-6-5-16/h3-4,7,10,13H,5-6,8H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide has a molecular weight of 347.34 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 122157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).