2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide

C14H19ClN2O2 — CID 113171103

IUPAC2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyIXJGYQKNIUVMIX-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.47
Rot. Bonds5

About 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide

2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 113171103) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
PubChem CID113171103
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyIXJGYQKNIUVMIX-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
CID 113171239
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
2-(N-acetyl-2,3-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113180102
2-(N-acetyl-2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113171144
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 113170550
2-(N-acetyl-3,5-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113168434

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide (CID 113171103) is 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide is CC(=O)N(CC(=O)NCC(C)C)c1ccccc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is IXJGYQKNIUVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide?
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113171103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).