N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane

C18H21BrCl2N2O — CID 142893163

IUPACN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
SMILESCC.CN(C(=O)CBr)C(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C16H15BrCl2N2O.C2H6/c1-21(15(22)9-17)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20;1-2/h2-8,16H,9,20H2,1H3;1-2H3
InChIKeyQPCLNAXYUHZNIJ-UHFFFAOYSA-N
MW432.19 g/mol
LogP5.54
Rot. Bonds4

About N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane

N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane (PubChem CID 142893163) has the molecular formula C18H21BrCl2N2O and a molecular weight of 432.19 g/mol. Its IUPAC name is N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane.

Molecular Properties

Compound NameN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
PubChem CID142893163
Molecular FormulaC18H21BrCl2N2O
Molecular Weight432.19 g/mol
Exact Mass430.02
IUPAC NameN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
SMILESCC.CN(C(=O)CBr)C(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C16H15BrCl2N2O.C2H6/c1-21(15(22)9-17)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20;1-2/h2-8,16H,9,20H2,1H3;1-2H3
InChIKeyQPCLNAXYUHZNIJ-UHFFFAOYSA-N
XLogP5.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.19
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide
CID 12508715
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide
CID 23397354
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 10971964
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 13174365
N-[2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylethyl]cyclohexanecarboxamide
CID 23397332
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane?
The IUPAC name of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane (CID 142893163) is N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane.
What is the SMILES notation for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane?
The canonical SMILES for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane is CC.CN(C(=O)CBr)C(c1cc(Cl)ccc1N)c1ccccc1Cl.
What is the InChIKey of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane?
The InChIKey is QPCLNAXYUHZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O.C2H6/c1-21(15(22)9-17)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20;1-2/h2-8,16H,9,20H2,1H3;1-2H3.
What are the key properties of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane?
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane has a molecular weight of 432.19 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane is sourced from PubChem (CID 142893163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).