N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide

C14H18F2N2O — CID 78754103

IUPACN-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(F)cc1F)C(=O)NC1CC1
InChIInChI=1S/C14H18F2N2O/c1-8(12-6-3-10(15)7-13(12)16)17-9(2)14(19)18-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,18,19)
InChIKeyQGJPARDJRLXVQU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.28
Rot. Bonds5

About N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide

N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide (PubChem CID 78754103) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
PubChem CID78754103
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(F)cc1F)C(=O)NC1CC1
InChIInChI=1S/C14H18F2N2O/c1-8(12-6-3-10(15)7-13(12)16)17-9(2)14(19)18-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,18,19)
InChIKeyQGJPARDJRLXVQU-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
1-cyclopropyl-3-[(1R)-1-(2,4-difluorophenyl)ethyl]thiourea
CID 8678369
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 115672845
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
CID 18094383
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8689076

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide (CID 78754103) is N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide is CC(NC(C)c1ccc(F)cc1F)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide?
The InChIKey is QGJPARDJRLXVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8(12-6-3-10(15)7-13(12)16)17-9(2)14(19)18-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide?
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide has a molecular weight of 268.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 78754103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).