2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide

C17H19ClN2O3 — CID 110929606

IUPAC2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNc2cc(CO)ccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-14-6-4-13(5-7-14)20-17(22)10-19-16-9-12(11-21)3-8-15(16)18/h3-9,19,21H,2,10-11H2,1H3,(H,20,22)
InChIKeyBSBYQQPVAQJMMS-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.28
Rot. Bonds7

About 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide

2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 110929606) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
PubChem CID110929606
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNc2cc(CO)ccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-14-6-4-13(5-7-14)20-17(22)10-19-16-9-12(11-21)3-8-15(16)18/h3-9,19,21H,2,10-11H2,1H3,(H,20,22)
InChIKeyBSBYQQPVAQJMMS-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54819813
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966
2-(2,5-difluoroanilino)-N-(4-ethoxyphenyl)acetamide
CID 42069587
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide (CID 110929606) is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CNc2cc(CO)ccc2Cl)cc1.
What is the InChIKey of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is BSBYQQPVAQJMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-23-14-6-4-13(5-7-14)20-17(22)10-19-16-9-12(11-21)3-8-15(16)18/h3-9,19,21H,2,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide?
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 334.80 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 110929606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).