2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

C16H23ClN2O2 — CID 5009750

IUPAC2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCl
InChIInChI=1S/C16H23ClN2O2/c1-5-12(3)19(16(21)9-17)10-15(20)18-14-8-6-7-11(2)13(14)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyXVJNUDNRQNJXHM-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.11
Rot. Bonds6

About 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 5009750) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID5009750
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCl
InChIInChI=1S/C16H23ClN2O2/c1-5-12(3)19(16(21)9-17)10-15(20)18-14-8-6-7-11(2)13(14)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyXVJNUDNRQNJXHM-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 5009750) is 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is CCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCl.
What is the InChIKey of 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is XVJNUDNRQNJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-12(3)19(16(21)9-17)10-15(20)18-14-8-6-7-11(2)13(14)4/h6-8,12H,5,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 310.82 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-chloroacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 5009750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).