2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide

C12H14ClN5O2 — CID 66268891

IUPAC2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
SMILESNC(=O)C(Nc1ccccc1Cl)c1cn(CCO)nn1
InChIInChI=1S/C12H14ClN5O2/c13-8-3-1-2-4-9(8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20)
InChIKeyGKPANHNMWWMLID-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.56
Rot. Bonds6

About 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide

2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide (PubChem CID 66268891) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
PubChem CID66268891
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
SMILESNC(=O)C(Nc1ccccc1Cl)c1cn(CCO)nn1
InChIInChI=1S/C12H14ClN5O2/c13-8-3-1-2-4-9(8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20)
InChIKeyGKPANHNMWWMLID-UHFFFAOYSA-N
XLogP0.56
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-hydroxyethyl)triazol-4-yl]-2-(2-methoxyanilino)acetamide
CID 66269651
2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
CID 66269465
2-(4-chloroanilino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetamide
CID 66268582
2-(3-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
CID 66270034
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
CID 114239350
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
2-(3-chloroanilino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66268217
2-(2-chloroanilino)-2-(2,4-difluorophenyl)acetamide
CID 61006519
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide (CID 66268891) is 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide is NC(=O)C(Nc1ccccc1Cl)c1cn(CCO)nn1.
What is the InChIKey of 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The InChIKey is GKPANHNMWWMLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c13-8-3-1-2-4-9(8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20).
What are the key properties of 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide has a molecular weight of 295.73 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide is sourced from PubChem (CID 66268891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).