2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide

C17H19ClN2O — CID 26439038

IUPAC2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-7-8-15(18)11-16(13)20-12-17(21)19-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyIMOCYVQESGBLPF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.42
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide

2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 26439038) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
PubChem CID26439038
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-7-8-15(18)11-16(13)20-12-17(21)19-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyIMOCYVQESGBLPF-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide (CID 26439038) is 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide is Cc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is IMOCYVQESGBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-7-8-15(18)11-16(13)20-12-17(21)19-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 26439038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).