N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide

C16H16Cl2N2O — CID 103930892

IUPACN-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(14-7-4-8-15(17)16(14)18)19-12-5-3-6-13(9-12)20-11(2)21/h3-10,19H,1-2H3,(H,20,21)
InChIKeyZFZKRKPNUFPXLQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.12
Rot. Bonds4

About N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide

N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide (PubChem CID 103930892) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
PubChem CID103930892
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(C)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(14-7-4-8-15(17)16(14)18)19-12-5-3-6-13(9-12)20-11(2)21/h3-10,19H,1-2H3,(H,20,21)
InChIKeyZFZKRKPNUFPXLQ-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-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
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N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
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N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
N-[4-[1-(2-chlorophenyl)ethylamino]-2-methylphenyl]acetamide
CID 43672852
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
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N-[3-[1-(3,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193756

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide (CID 103930892) is N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(C)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide?
The InChIKey is ZFZKRKPNUFPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(14-7-4-8-15(17)16(14)18)19-12-5-3-6-13(9-12)20-11(2)21/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide?
N-[3-[1-(2,3-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-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 103930892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).