2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

C18H21ClN2O3 — CID 31525310

IUPAC2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C18H21ClN2O3/c1-13-4-3-5-15(10-13)24-9-8-20-18(22)12-21-16-11-14(19)6-7-17(16)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyPSHDSNUXRQRKLJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.26
Rot. Bonds8

About 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 31525310) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID31525310
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C18H21ClN2O3/c1-13-4-3-5-15(10-13)24-9-8-20-18(22)12-21-16-11-14(19)6-7-17(16)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyPSHDSNUXRQRKLJ-UHFFFAOYSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55437054
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 17461797
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
CID 9137166
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9484953

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 31525310) is 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is COc1ccc(Cl)cc1NCC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is PSHDSNUXRQRKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13-4-3-5-15(10-13)24-9-8-20-18(22)12-21-16-11-14(19)6-7-17(16)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 31525310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).