N-benzyl-N-tert-butyl-2-chloropropanamide

C14H20ClNO — CID 131021272

IUPACN-benzyl-N-tert-butyl-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-11(15)13(17)16(14(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyCEPQZIMOZLAVLQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.44
Rot. Bonds3

About N-benzyl-N-tert-butyl-2-chloropropanamide

N-benzyl-N-tert-butyl-2-chloropropanamide (PubChem CID 131021272) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-chloropropanamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-chloropropanamide
PubChem CID131021272
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-benzyl-N-tert-butyl-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-11(15)13(17)16(14(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyCEPQZIMOZLAVLQ-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
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-benzyl-N-tert-butyl-2-chloropropanamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-chloropropanamide (CID 131021272) is N-benzyl-N-tert-butyl-2-chloropropanamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-chloropropanamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-chloropropanamide is CC(Cl)C(=O)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-N-tert-butyl-2-chloropropanamide?
The InChIKey is CEPQZIMOZLAVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(15)13(17)16(14(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3.
What are the key properties of N-benzyl-N-tert-butyl-2-chloropropanamide?
N-benzyl-N-tert-butyl-2-chloropropanamide has a molecular weight of 253.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-chloropropanamide is sourced from PubChem (CID 131021272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).