N-(2-tert-butylphenyl)-2-chloropropanamide

C13H18ClNO — CID 43424720

IUPACN-(2-tert-butylphenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C13H18ClNO/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyPUOBJXKRIYIOJT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.55
Rot. Bonds2

About N-(2-tert-butylphenyl)-2-chloropropanamide

N-(2-tert-butylphenyl)-2-chloropropanamide (PubChem CID 43424720) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-chloropropanamide
PubChem CID43424720
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(2-tert-butylphenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C13H18ClNO/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyPUOBJXKRIYIOJT-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2-tert-butylphenyl)-2-chloropropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-chloropropanamide (CID 43424720) is N-(2-tert-butylphenyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-chloropropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-chloropropanamide is CC(Cl)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-chloropropanamide?
The InChIKey is PUOBJXKRIYIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-(2-tert-butylphenyl)-2-chloropropanamide?
N-(2-tert-butylphenyl)-2-chloropropanamide has a molecular weight of 239.75 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-chloropropanamide is sourced from PubChem (CID 43424720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).