2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide

C19H21ClN2O2 — CID 134053894

IUPAC2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(16-5-4-6-17(20)12-16)22(3)19(24)11-15-7-9-18(10-8-15)21-14(2)23/h4-10,12-13H,11H2,1-3H3,(H,21,23)
InChIKeyZSYPPSCLCAOJJB-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide

2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide (PubChem CID 134053894) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
PubChem CID134053894
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(16-5-4-6-17(20)12-16)22(3)19(24)11-15-7-9-18(10-8-15)21-14(2)23/h4-10,12-13H,11H2,1-3H3,(H,21,23)
InChIKeyZSYPPSCLCAOJJB-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282652
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
CID 62985968
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide (CID 134053894) is 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide is CC(=O)Nc1ccc(CC(=O)N(C)C(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is ZSYPPSCLCAOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(16-5-4-6-17(20)12-16)22(3)19(24)11-15-7-9-18(10-8-15)21-14(2)23/h4-10,12-13H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide?
2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 344.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 134053894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).