N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide

C16H16Cl2N2O — CID 43109864

IUPACN-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(12-3-8-15(17)16(18)9-12)19-13-4-6-14(7-5-13)20-11(2)21/h3-10,19H,1-2H3,(H,20,21)
InChIKeyWWTGSEXYCNUQLM-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.12
Rot. Bonds4

About N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide

N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide (PubChem CID 43109864) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
PubChem CID43109864
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(12-3-8-15(17)16(18)9-12)19-13-4-6-14(7-5-13)20-11(2)21/h3-10,19H,1-2H3,(H,20,21)
InChIKeyWWTGSEXYCNUQLM-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
3-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43321836
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
4-[1-(3,4-dichlorophenyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788207
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide (CID 43109864) is N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(C)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
The InChIKey is WWTGSEXYCNUQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(12-3-8-15(17)16(18)9-12)19-13-4-6-14(7-5-13)20-11(2)21/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide?
N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide has a molecular weight of 323.22 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 43109864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).