N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

C8H12F3N3O2 — CID 106212536

IUPACN-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESCC(NC1(C(F)(F)F)CC1)C(=O)NC(N)=O
InChIInChI=1S/C8H12F3N3O2/c1-4(5(15)13-6(12)16)14-7(2-3-7)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16)
InChIKeyXMYUEVLGPSZYNT-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.25
Rot. Bonds3

About N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide

N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (PubChem CID 106212536) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
PubChem CID106212536
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
SMILESCC(NC1(C(F)(F)F)CC1)C(=O)NC(N)=O
InChIInChI=1S/C8H12F3N3O2/c1-4(5(15)13-6(12)16)14-7(2-3-7)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16)
InChIKeyXMYUEVLGPSZYNT-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 123195260
2-(ethylcarbamoylamino)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 156077993
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 16351987
N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089158
N-(methylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089159
N-carbamoyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089167
3-(3-Amino-1,1,1-trifluoropropan-2-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 43752797
N-(cyclopropylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetamide
CID 47055623
N-(methylcarbamoyl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226868
N-carbamoyl-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226917
N-(ethylcarbamoyl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 63226918
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64219506

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The IUPAC name of N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide (CID 106212536) is N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is CC(NC1(C(F)(F)F)CC1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
The InChIKey is XMYUEVLGPSZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-4(5(15)13-6(12)16)14-7(2-3-7)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16).
What are the key properties of N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide?
N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide has a molecular weight of 239.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide is sourced from PubChem (CID 106212536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).