3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide

C15H22F2N2O2 — CID 106910760

IUPAC3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
SMILESCC(C)NCc1cccc(NC(=O)CCOCC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-11(2)18-9-12-4-3-5-13(8-12)19-15(20)6-7-21-10-14(16)17/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyHXCLUCRXRJLWSB-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.79
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide

3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide (PubChem CID 106910760) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
PubChem CID106910760
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
SMILESCC(C)NCc1cccc(NC(=O)CCOCC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-11(2)18-9-12-4-3-5-13(8-12)19-15(20)6-7-21-10-14(16)17/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyHXCLUCRXRJLWSB-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910809
N-[[3-(chloromethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212385
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
CID 103206316
2-chloro-5-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205870
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
N-[4-(cyanomethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208243
N-[3-[(propan-2-ylamino)methyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106910792

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide (CID 106910760) is 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide is CC(C)NCc1cccc(NC(=O)CCOCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide?
The InChIKey is HXCLUCRXRJLWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-11(2)18-9-12-4-3-5-13(8-12)19-15(20)6-7-21-10-14(16)17/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide?
3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide has a molecular weight of 300.35 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 106910760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).