(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide

C19H20F2N2O3 — CID 124739283

IUPAC(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1
InChIInChI=1S/C19H20F2N2O3/c1-12(26-14-8-9-15(20)16(21)10-14)19(25)23(2)17(11-18(22)24)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H2,22,24)/t12-,17+/m0/s1
InChIKeySKTSGZMDEQCWTD-YVEFUNNKSA-N
MW362.38 g/mol
LogP2.81
Rot. Bonds7

About (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide

(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide (PubChem CID 124739283) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide
PubChem CID124739283
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1
InChIInChI=1S/C19H20F2N2O3/c1-12(26-14-8-9-15(20)16(21)10-14)19(25)23(2)17(11-18(22)24)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H2,22,24)/t12-,17+/m0/s1
InChIKeySKTSGZMDEQCWTD-YVEFUNNKSA-N
XLogP2.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
CID 120886600
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
CID 54856773
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
N-methyl-2-(4-phenylphenoxy)-N-propan-2-ylpropanamide
CID 78859617
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509415
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide?
The IUPAC name of (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide (CID 124739283) is (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H](CC(N)=O)c1ccccc1.
What is the InChIKey of (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide?
The InChIKey is SKTSGZMDEQCWTD-YVEFUNNKSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-12(26-14-8-9-15(20)16(21)10-14)19(25)23(2)17(11-18(22)24)13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H2,22,24)/t12-,17+/m0/s1.
What are the key properties of (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide?
(3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide has a molecular weight of 362.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-2-(3,4-difluorophenoxy)propanoyl]-methylamino]-3-phenylpropanamide is sourced from PubChem (CID 124739283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).