2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide

C14H20F2N2O — CID 43226787

IUPAC2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyITYIKKYJQWKCND-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide

2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide (PubChem CID 43226787) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
PubChem CID43226787
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyITYIKKYJQWKCND-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
CID 60720096
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoyl-propylamino]-N-propylacetamide
CID 94648381
2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 54950521
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide (CID 43226787) is 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide?
The InChIKey is ITYIKKYJQWKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide?
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43226787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).