N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride

C21H23Cl3N2O2 — CID 3058807

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CNC1CCCC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C21H22Cl2N2O2.ClH/c1-25(20(26)13-24-15-6-2-3-7-15)19-11-10-14(22)12-17(19)21(27)16-8-4-5-9-18(16)23;/h4-5,8-12,15,24H,2-3,6-7,13H2,1H3;1H
InChIKeyLPMYHEVEIDIMJI-UHFFFAOYSA-N
MW441.79 g/mol
LogP5.14
Rot. Bonds6

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride (PubChem CID 3058807) has the molecular formula C21H23Cl3N2O2 and a molecular weight of 441.79 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride
PubChem CID3058807
Molecular FormulaC21H23Cl3N2O2
Molecular Weight441.79 g/mol
Exact Mass440.08
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CNC1CCCC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C21H22Cl2N2O2.ClH/c1-25(20(26)13-24-15-6-2-3-7-15)19-11-10-14(22)12-17(19)21(27)16-8-4-5-9-18(16)23;/h4-5,8-12,15,24H,2-3,6-7,13H2,1H3;1H
InChIKeyLPMYHEVEIDIMJI-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride (CID 3058807) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride is CN(C(=O)CNC1CCCC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride?
The InChIKey is LPMYHEVEIDIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2.ClH/c1-25(20(26)13-24-15-6-2-3-7-15)19-11-10-14(22)12-17(19)21(27)16-8-4-5-9-18(16)23;/h4-5,8-12,15,24H,2-3,6-7,13H2,1H3;1H.
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride has a molecular weight of 441.79 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopentylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).