N-(3-butyl-2-chlorophenyl)acetamide

C12H16ClNO — CID 71304494

IUPACN-(3-butyl-2-chlorophenyl)acetamide
SMILESCCCCc1cccc(NC(C)=O)c1Cl
InChIInChI=1S/C12H16ClNO/c1-3-4-6-10-7-5-8-11(12(10)13)14-9(2)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXXEGAQOMRBVAGO-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.64
Rot. Bonds4

About N-(3-butyl-2-chlorophenyl)acetamide

N-(3-butyl-2-chlorophenyl)acetamide (PubChem CID 71304494) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(3-butyl-2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-butyl-2-chlorophenyl)acetamide
PubChem CID71304494
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(3-butyl-2-chlorophenyl)acetamide
SMILESCCCCc1cccc(NC(C)=O)c1Cl
InChIInChI=1S/C12H16ClNO/c1-3-4-6-10-7-5-8-11(12(10)13)14-9(2)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXXEGAQOMRBVAGO-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-2-chlorophenyl)acetamide?
The IUPAC name of N-(3-butyl-2-chlorophenyl)acetamide (CID 71304494) is N-(3-butyl-2-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-butyl-2-chlorophenyl)acetamide?
The canonical SMILES for N-(3-butyl-2-chlorophenyl)acetamide is CCCCc1cccc(NC(C)=O)c1Cl.
What is the InChIKey of N-(3-butyl-2-chlorophenyl)acetamide?
The InChIKey is XXEGAQOMRBVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-4-6-10-7-5-8-11(12(10)13)14-9(2)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-butyl-2-chlorophenyl)acetamide?
N-(3-butyl-2-chlorophenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-2-chlorophenyl)acetamide is sourced from PubChem (CID 71304494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).