2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

C18H21ClN2O2 — CID 110929600

IUPAC2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cc(CO)ccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-12(2)18(14)21-17(23)10-20-16-9-13(11-22)7-8-15(16)19/h4-9,20,22H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyANTJEUAAJPPDCQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 110929600) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID110929600
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cc(CO)ccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-12(2)18(14)21-17(23)10-20-16-9-13(11-22)7-8-15(16)19/h4-9,20,22H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyANTJEUAAJPPDCQ-UHFFFAOYSA-N
XLogP3.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
CID 109008060
2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22307577
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244
N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877923
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 110929600) is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CNc1cc(CO)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ANTJEUAAJPPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-12(2)18(14)21-17(23)10-20-16-9-13(11-22)7-8-15(16)19/h4-9,20,22H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 110929600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).