N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide

C19H23ClN2O — CID 109002951

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-16-6-4-5-14(2)19(16)22-13-18(23)21-12-11-15-7-9-17(20)10-8-15/h4-10,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyLMFAICTXSPKVPG-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide (PubChem CID 109002951) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
PubChem CID109002951
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-16-6-4-5-14(2)19(16)22-13-18(23)21-12-11-15-7-9-17(20)10-8-15/h4-10,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyLMFAICTXSPKVPG-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(2-ethyl-6-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996936
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylphenyl)thiourea
CID 23855604

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide (CID 109002951) is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide is CCc1cccc(C)c1NCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide?
The InChIKey is LMFAICTXSPKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-3-16-6-4-5-14(2)19(16)22-13-18(23)21-12-11-15-7-9-17(20)10-8-15/h4-10,22H,3,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide is sourced from PubChem (CID 109002951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).