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

C19H19Cl3N2O2 — CID 3058806

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CNC1CC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C19H18Cl2N2O2.ClH/c1-23(18(24)11-22-13-7-8-13)17-9-6-12(20)10-15(17)19(25)14-4-2-3-5-16(14)21;/h2-6,9-10,13,22H,7-8,11H2,1H3;1H
InChIKeyWVHFAIKGJGMUCJ-UHFFFAOYSA-N
MW413.73 g/mol
LogP4.36
Rot. Bonds6

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

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride (PubChem CID 3058806) has the molecular formula C19H19Cl3N2O2 and a molecular weight of 413.73 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride
PubChem CID3058806
Molecular FormulaC19H19Cl3N2O2
Molecular Weight413.73 g/mol
Exact Mass412.05
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CNC1CC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C19H18Cl2N2O2.ClH/c1-23(18(24)11-22-13-7-8-13)17-9-6-12(20)10-15(17)19(25)14-4-2-3-5-16(14)21;/h2-6,9-10,13,22H,7-8,11H2,1H3;1H
InChIKeyWVHFAIKGJGMUCJ-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.73
LogP ≤ 54.36
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-(cyclopropylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride (CID 3058806) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride is CN(C(=O)CNC1CC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride?
The InChIKey is WVHFAIKGJGMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2.ClH/c1-23(18(24)11-22-13-7-8-13)17-9-6-12(20)10-15(17)19(25)14-4-2-3-5-16(14)21;/h2-6,9-10,13,22H,7-8,11H2,1H3;1H.
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclopropylamino)-N-methylacetamide;hydrochloride has a molecular weight of 413.73 g/mol, XLogP of 4.36, 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-(cyclopropylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3058806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).