N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide

C18H19Cl2N3O2 — CID 4828683

IUPACN-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-12(15-8-7-14(19)9-16(15)20)21-11-17(24)23-18(25)22-10-13-5-3-2-4-6-13/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25)
InChIKeyRIQAWMLCMWRHDY-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.67
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide

N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide (PubChem CID 4828683) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
PubChem CID4828683
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-12(15-8-7-14(19)9-16(15)20)21-11-17(24)23-18(25)22-10-13-5-3-2-4-6-13/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25)
InChIKeyRIQAWMLCMWRHDY-UHFFFAOYSA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24609586
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
CID 2699320

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide (CID 4828683) is N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide is CC(NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
The InChIKey is RIQAWMLCMWRHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-12(15-8-7-14(19)9-16(15)20)21-11-17(24)23-18(25)22-10-13-5-3-2-4-6-13/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide?
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide has a molecular weight of 380.28 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 4828683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).