N-butyl-2-(4-chlorophenyl)acetamide

C12H16ClNO — CID 2164377

IUPACN-butyl-2-(4-chlorophenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyIMQOJKRMXQNWKG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds5

About N-butyl-2-(4-chlorophenyl)acetamide

N-butyl-2-(4-chlorophenyl)acetamide (PubChem CID 2164377) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-butyl-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chlorophenyl)acetamide
PubChem CID2164377
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-butyl-2-(4-chlorophenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyIMQOJKRMXQNWKG-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-butyl-2-(4-chlorophenyl)acetamide (CID 2164377) is N-butyl-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-butyl-2-(4-chlorophenyl)acetamide is CCCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-(4-chlorophenyl)acetamide?
The InChIKey is IMQOJKRMXQNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-(4-chlorophenyl)acetamide?
N-butyl-2-(4-chlorophenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2164377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).