(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide

C15H21F2N3O2 — CID 95625473

IUPAC(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide
SMILESCCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H21F2N3O2/c1-3-9-20(10-13(16)17)14(21)11(2)18-15(22)19-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyCKHZHXXGCBBVFC-LLVKDONJSA-N
MW313.35 g/mol
LogP2.70
Rot. Bonds7

About (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide

(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide (PubChem CID 95625473) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide
PubChem CID95625473
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide
SMILESCCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H21F2N3O2/c1-3-9-20(10-13(16)17)14(21)11(2)18-15(22)19-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H2,18,19,22)/t11-/m1/s1
InChIKeyCKHZHXXGCBBVFC-LLVKDONJSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide?
The IUPAC name of (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide (CID 95625473) is (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide.
What is the SMILES notation for (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide?
The canonical SMILES for (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide is CCCN(CC(F)F)C(=O)[C@@H](C)NC(=O)Nc1ccccc1.
What is the InChIKey of (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide?
The InChIKey is CKHZHXXGCBBVFC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-3-9-20(10-13(16)17)14(21)11(2)18-15(22)19-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H2,18,19,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide?
(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide has a molecular weight of 313.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide is sourced from PubChem (CID 95625473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).