3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide

C13H16F2N2O2 — CID 54924821

IUPAC3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)7-8-16-9-1-2-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyPCZQFCYFGPZAJD-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.37
Rot. Bonds7

About 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide

3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 54924821) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID54924821
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)7-8-16-9-1-2-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyPCZQFCYFGPZAJD-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
CID 134034634
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 54924821) is 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide is O=C(CCNC1CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is PCZQFCYFGPZAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)7-8-16-9-1-2-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18).
What are the key properties of 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 270.28 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 54924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).