2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

C19H22ClN3O4 — CID 17461797

IUPAC2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1cccc(C)c1
InChIInChI=1S/C19H22ClN3O4/c1-13-4-3-5-15(10-13)27-17-7-6-14(20)11-16(17)22-12-18(24)23-19(25)21-8-9-26-2/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyRCGKUFRZPWNKDX-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.32
Rot. Bonds8

About 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 17461797) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID17461797
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1cccc(C)c1
InChIInChI=1S/C19H22ClN3O4/c1-13-4-3-5-15(10-13)27-17-7-6-14(20)11-16(17)22-12-18(24)23-19(25)21-8-9-26-2/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,21,23,24,25)
InChIKeyRCGKUFRZPWNKDX-UHFFFAOYSA-N
XLogP3.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40986768
2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
CID 26526675
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 2465492

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 17461797) is 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1cccc(C)c1.
What is the InChIKey of 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is RCGKUFRZPWNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-13-4-3-5-15(10-13)27-17-7-6-14(20)11-16(17)22-12-18(24)23-19(25)21-8-9-26-2/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 391.86 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 17461797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).