N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

C12H17ClN2O — CID 60685447

IUPACN-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCOYQXIJYGWYNIC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.91
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (PubChem CID 60685447) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
PubChem CID60685447
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCOYQXIJYGWYNIC-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]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (CID 60685447) is N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The InChIKey is COYQXIJYGWYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-6-4-5-7-11(10)13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-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 N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 60685447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).