2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide

C17H18Cl2N2O2 — CID 166625419

IUPAC2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide
SMILESCC(NCCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H18Cl2N2O2/c1-11(17(20)22)21-9-8-12-2-4-13(5-3-12)23-14-6-7-15(18)16(19)10-14/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22)
InChIKeyYNYXQOKJPDKCMP-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.79
Rot. Bonds7

About 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide

2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide (PubChem CID 166625419) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide.

Molecular Properties

Compound Name2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide
PubChem CID166625419
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide
SMILESCC(NCCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H18Cl2N2O2/c1-11(17(20)22)21-9-8-12-2-4-13(5-3-12)23-14-6-7-15(18)16(19)10-14/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22)
InChIKeyYNYXQOKJPDKCMP-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide 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

methanesulfonic acid;2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethylamino]propanamide
CID 166633388
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
CID 156702322
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
CID 69169188
1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
CID 129390999
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
methyl (2S)-2-[(3,4-dichlorophenyl)methylamino]-3-methylbutanoate
CID 43386394
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
2-[[4-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetic acid
CID 66573806

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide?
The IUPAC name of 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide (CID 166625419) is 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide.
What is the SMILES notation for 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide?
The canonical SMILES for 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide is CC(NCCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(N)=O.
What is the InChIKey of 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide?
The InChIKey is YNYXQOKJPDKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(17(20)22)21-9-8-12-2-4-13(5-3-12)23-14-6-7-15(18)16(19)10-14/h2-7,10-11,21H,8-9H2,1H3,(H2,20,22).
What are the key properties of 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide?
2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide has a molecular weight of 353.25 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,4-dichlorophenoxy)phenyl]ethylamino]propanamide is sourced from PubChem (CID 166625419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).