N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide

C7H13F2N3O3 — CID 106176747

IUPACN-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
SMILESCC(NCC(F)(F)CO)C(=O)NC(N)=O
InChIInChI=1S/C7H13F2N3O3/c1-4(5(14)12-6(10)15)11-2-7(8,9)3-13/h4,11,13H,2-3H2,1H3,(H3,10,12,14,15)
InChIKeyIPHGETFYYBKKTJ-UHFFFAOYSA-N
MW225.19 g/mol
LogP-1.21
Rot. Bonds5

About N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide

N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide (PubChem CID 106176747) has the molecular formula C7H13F2N3O3 and a molecular weight of 225.19 g/mol. Its IUPAC name is N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
PubChem CID106176747
Molecular FormulaC7H13F2N3O3
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC NameN-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
SMILESCC(NCC(F)(F)CO)C(=O)NC(N)=O
InChIInChI=1S/C7H13F2N3O3/c1-4(5(14)12-6(10)15)11-2-7(8,9)3-13/h4,11,13H,2-3H2,1H3,(H3,10,12,14,15)
InChIKeyIPHGETFYYBKKTJ-UHFFFAOYSA-N
XLogP-1.21
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 115359996
N-carbamoyl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664044
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
CID 83144225
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176034
2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 106169028
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212536

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide (CID 106176747) is N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide is CC(NCC(F)(F)CO)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The InChIKey is IPHGETFYYBKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3/c1-4(5(14)12-6(10)15)11-2-7(8,9)3-13/h4,11,13H,2-3H2,1H3,(H3,10,12,14,15).
What are the key properties of N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide has a molecular weight of 225.19 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 106176747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).