2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide

C12H17ClN2O — CID 43309591

IUPAC2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-15(2)12(16)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyNHEZOMUFMSGNJN-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.91
Rot. Bonds5

About 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide

2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 43309591) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID43309591
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-15(2)12(16)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyNHEZOMUFMSGNJN-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 114132352
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide (CID 43309591) is 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is NHEZOMUFMSGNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-15(2)12(16)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 240.73 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).