N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide

C17H18Cl2N2O — CID 112827917

IUPACN-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
SMILESCCC(Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-3-17(15-9-4-12(18)10-16(15)19)21-14-7-5-13(6-8-14)20-11(2)22/h4-10,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyASBZOSUPJCFYGR-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.51
Rot. Bonds5

About N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide

N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide (PubChem CID 112827917) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
PubChem CID112827917
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
SMILESCCC(Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-3-17(15-9-4-12(18)10-16(15)19)21-14-7-5-13(6-8-14)20-11(2)22/h4-10,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyASBZOSUPJCFYGR-UHFFFAOYSA-N
XLogP5.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide (CID 112827917) is N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide is CCC(Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide?
The InChIKey is ASBZOSUPJCFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-3-17(15-9-4-12(18)10-16(15)19)21-14-7-5-13(6-8-14)20-11(2)22/h4-10,17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide?
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide has a molecular weight of 337.25 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide is sourced from PubChem (CID 112827917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).