N-benzyl-2-chloro-N-propan-2-ylacetamide

C12H16ClNO — CID 2384365

IUPACN-benzyl-2-chloro-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-10(2)14(12(15)8-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyPMCFTLWMSKQBFS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-2-chloro-N-propan-2-ylacetamide

N-benzyl-2-chloro-N-propan-2-ylacetamide (PubChem CID 2384365) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-propan-2-ylacetamide
PubChem CID2384365
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-benzyl-2-chloro-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-10(2)14(12(15)8-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyPMCFTLWMSKQBFS-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.66
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-2-chloro-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-chloro-N-propan-2-ylacetamide (CID 2384365) is N-benzyl-2-chloro-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-chloro-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-propan-2-ylacetamide?
The InChIKey is PMCFTLWMSKQBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10(2)14(12(15)8-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-N-propan-2-ylacetamide?
N-benzyl-2-chloro-N-propan-2-ylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-propan-2-ylacetamide is sourced from PubChem (CID 2384365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).