(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide

C13H15F2NO2 — CID 95160340

IUPAC(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC1CC1
InChIInChI=1S/C13H15F2NO2/c1-8(13(17)16-7-9-2-3-9)18-10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyLABVBMYXRLOPQZ-QMMMGPOBSA-N
MW255.26 g/mol
LogP2.26
Rot. Bonds5

About (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide

(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 95160340) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID95160340
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC1CC1
InChIInChI=1S/C13H15F2NO2/c1-8(13(17)16-7-9-2-3-9)18-10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyLABVBMYXRLOPQZ-QMMMGPOBSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
CID 51096292
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-difluorophenoxy)propanamide
CID 86944832
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide (CID 95160340) is (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is LABVBMYXRLOPQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8(13(17)16-7-9-2-3-9)18-10-4-5-11(14)12(15)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide?
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 255.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 95160340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).