2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3N3O2 — CID 123195260

IUPAC2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c1-3(12-5(10)14)4(13)11-2-6(7,8)9/h3H,2H2,1H3,(H,11,13)(H3,10,12,14)
InChIKeyJNANCBYKCOYIDP-UHFFFAOYSA-N
MW213.16 g/mol
LogP-0.28
Rot. Bonds3

About 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 123195260) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID123195260
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c1-3(12-5(10)14)4(13)11-2-6(7,8)9/h3H,2H2,1H3,(H,11,13)(H3,10,12,14)
InChIKeyJNANCBYKCOYIDP-UHFFFAOYSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 123195260) is 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(N)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JNANCBYKCOYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c1-3(12-5(10)14)4(13)11-2-6(7,8)9/h3H,2H2,1H3,(H,11,13)(H3,10,12,14).
What are the key properties of 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 213.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 123195260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).