(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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Related Compounds

(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
CID 112985654
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-benzyl-3-phenyl-1-propylurea
CID 78786424

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).