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

C17H19ClN2O2 — CID 26417313

IUPAC2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-7-14(18)11-15(16)20-12-17(21)19-10-9-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyQIMYYTGDTWFFKV-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.12
Rot. Bonds7

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

2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide (PubChem CID 26417313) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
PubChem CID26417313
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-8-7-14(18)11-15(16)20-12-17(21)19-10-9-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyQIMYYTGDTWFFKV-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119549697
2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
CID 108992972
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide (CID 26417313) is 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide is COc1ccc(Cl)cc1NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is QIMYYTGDTWFFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-8-7-14(18)11-15(16)20-12-17(21)19-10-9-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide?
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 26417313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).