2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide

C13H16F2N2O2 — CID 63038366

IUPAC2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
SMILESNC(=O)C(CCOc1cccc(F)c1F)NC1CC1
InChIInChI=1S/C13H16F2N2O2/c14-9-2-1-3-11(12(9)15)19-7-6-10(13(16)18)17-8-4-5-8/h1-3,8,10,17H,4-7H2,(H2,16,18)
InChIKeyWXSMFSOPLLIPGI-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.34
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide

2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide (PubChem CID 63038366) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
PubChem CID63038366
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
SMILESNC(=O)C(CCOc1cccc(F)c1F)NC1CC1
InChIInChI=1S/C13H16F2N2O2/c14-9-2-1-3-11(12(9)15)19-7-6-10(13(16)18)17-8-4-5-8/h1-3,8,10,17H,4-7H2,(H2,16,18)
InChIKeyWXSMFSOPLLIPGI-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
CID 107660548
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(2-fluoro-6-nitrophenoxy)butanamide
CID 104832338
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040262
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide (CID 63038366) is 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide is NC(=O)C(CCOc1cccc(F)c1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide?
The InChIKey is WXSMFSOPLLIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-9-2-1-3-11(12(9)15)19-7-6-10(13(16)18)17-8-4-5-8/h1-3,8,10,17H,4-7H2,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide?
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide has a molecular weight of 270.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide is sourced from PubChem (CID 63038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).