2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide

C12H15ClN2O2 — CID 54892109

IUPAC2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
SMILESNC(=O)C(Nc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(6-9)15-11(12(14)16)8-4-5-17-7-8/h1-3,6,8,11,15H,4-5,7H2,(H2,14,16)
InChIKeyNIOMJEXAJLHZCL-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.64
Rot. Bonds4

About 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide

2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide (PubChem CID 54892109) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
PubChem CID54892109
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
SMILESNC(=O)C(Nc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(6-9)15-11(12(14)16)8-4-5-17-7-8/h1-3,6,8,11,15H,4-5,7H2,(H2,14,16)
InChIKeyNIOMJEXAJLHZCL-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
2-(3-chloroanilino)-2-(oxan-4-yl)acetonitrile
CID 55066228
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
3-(3-chlorophenyl)-2-(oxolan-3-yl)propanoic acid
CID 79419047
2-(3-bromoanilino)-2-cyclopentylacetamide
CID 62069844
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
CID 63740597
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
2-cyclohexyl-2-(3-methylanilino)acetamide
CID 54892215

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide (CID 54892109) is 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide is NC(=O)C(Nc1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide?
The InChIKey is NIOMJEXAJLHZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(6-9)15-11(12(14)16)8-4-5-17-7-8/h1-3,6,8,11,15H,4-5,7H2,(H2,14,16).
What are the key properties of 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide?
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 54892109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).