4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

C15H22F2N2O2 — CID 120650673

IUPAC4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-18-11(2)10-19-15(20)5-4-8-21-14-7-6-12(16)9-13(14)17/h6-7,9,11,18H,3-5,8,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyZAPYLLWYPBKZRQ-LLVKDONJSA-N
MW300.35 g/mol
LogP2.24
Rot. Bonds9

About 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (PubChem CID 120650673) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
PubChem CID120650673
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-18-11(2)10-19-15(20)5-4-8-21-14-7-6-12(16)9-13(14)17/h6-7,9,11,18H,3-5,8,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyZAPYLLWYPBKZRQ-LLVKDONJSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide 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

N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
CID 119605711
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate
CID 60609905
2-[4-(2,4-difluorophenoxy)butanoylamino]-2-methylpropanoic acid
CID 119187526

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (CID 120650673) is 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is CCN[C@H](C)CNC(=O)CCCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The InChIKey is ZAPYLLWYPBKZRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-18-11(2)10-19-15(20)5-4-8-21-14-7-6-12(16)9-13(14)17/h6-7,9,11,18H,3-5,8,10H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide has a molecular weight of 300.35 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is sourced from PubChem (CID 120650673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).