3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide

C13H16F2N2O — CID 82818657

IUPAC3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCNC2CC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-2-5-10(14)13(12(8)15)17-11(18)6-7-16-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyGNLHCLCAAIXHHR-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.35
Rot. Bonds5

About 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide

3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide (PubChem CID 82818657) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
PubChem CID82818657
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCNC2CC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-2-5-10(14)13(12(8)15)17-11(18)6-7-16-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyGNLHCLCAAIXHHR-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide (CID 82818657) is 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide is Cc1ccc(F)c(NC(=O)CCNC2CC2)c1F.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide?
The InChIKey is GNLHCLCAAIXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-2-5-10(14)13(12(8)15)17-11(18)6-7-16-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide?
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide has a molecular weight of 254.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide is sourced from PubChem (CID 82818657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).