2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide

C13H16F2N2O2 — CID 60703371

IUPAC2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CNC1CC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-1-9(2-6-11)7-17-12(18)8-16-10-3-4-10/h1-2,5-6,10,13,16H,3-4,7-8H2,(H,17,18)
InChIKeyATSKROAHNLDCCQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.66
Rot. Bonds7

About 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide

2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 60703371) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID60703371
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CNC1CC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-1-9(2-6-11)7-17-12(18)8-16-10-3-4-10/h1-2,5-6,10,13,16H,3-4,7-8H2,(H,17,18)
InChIKeyATSKROAHNLDCCQ-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112805176
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (CID 60703371) is 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is O=C(CNC1CC1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is ATSKROAHNLDCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-1-9(2-6-11)7-17-12(18)8-16-10-3-4-10/h1-2,5-6,10,13,16H,3-4,7-8H2,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 270.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60703371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).