2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide

C14H19ClN2O2 — CID 113171290

IUPAC2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-6-4-5-12(15)7-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyLSEWRGQMXZMXLX-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.47
Rot. Bonds5

About 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 113171290) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
PubChem CID113171290
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-6-4-5-12(15)7-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyLSEWRGQMXZMXLX-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-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-3,5-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113168434
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113171415
2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 113170550
N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
CID 104700865
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide (CID 113171290) is 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide is CC(=O)N(CC(=O)NCC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is LSEWRGQMXZMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(2)8-16-14(19)9-17(11(3)18)13-6-4-5-12(15)7-13/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide?
2-(N-acetyl-3-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-3-chloroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113171290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).