N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane

C19H24ClNO — CID 143158267

IUPACN-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
SMILESCC.CCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO.C2H6/c1-2-13-5-3-7-15(11-13)17(20)19-10-9-14-6-4-8-16(18)12-14;1-2/h3-8,11-12H,2,9-10H2,1H3,(H,19,20);1-2H3
InChIKeyUYVBIYNOCPTPLF-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.90
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane

N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane (PubChem CID 143158267) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
PubChem CID143158267
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
SMILESCC.CCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO.C2H6/c1-2-13-5-3-7-15(11-13)17(20)19-10-9-14-6-4-8-16(18)12-14;1-2/h3-8,11-12H,2,9-10H2,1H3,(H,19,20);1-2H3
InChIKeyUYVBIYNOCPTPLF-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
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CID 27838781
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane (CID 143158267) is N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane is CC.CCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane?
The InChIKey is UYVBIYNOCPTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO.C2H6/c1-2-13-5-3-7-15(11-13)17(20)19-10-9-14-6-4-8-16(18)12-14;1-2/h3-8,11-12H,2,9-10H2,1H3,(H,19,20);1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane?
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane has a molecular weight of 317.86 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane is sourced from PubChem (CID 143158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).