N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide

C18H20BrClN2O — CID 55354120

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O/c1-13(15-6-8-16(19)9-7-15)21-18(23)12-22(2)11-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyDSTSCNISVKDVQJ-UHFFFAOYSA-N
MW395.73 g/mol
LogP4.41
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 55354120) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
PubChem CID55354120
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O/c1-13(15-6-8-16(19)9-7-15)21-18(23)12-22(2)11-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyDSTSCNISVKDVQJ-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
CID 94897707
2-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide (CID 55354120) is N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide is CC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is DSTSCNISVKDVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O/c1-13(15-6-8-16(19)9-7-15)21-18(23)12-22(2)11-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 395.73 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 55354120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).