2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

C18H21ClN2O — CID 26510093

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(2)12-14-7-6-9-16(19)11-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYLNZBBNAVWTADS-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.97
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 26510093) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID26510093
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(2)12-14-7-6-9-16(19)11-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyYLNZBBNAVWTADS-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9041843
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 26510093) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is YLNZBBNAVWTADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(2)12-14-7-6-9-16(19)11-14/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 26510093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).