N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide

C12H16ClNO2 — CID 14143043

IUPACN-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C12H16ClNO2/c1-10(9-15)14(12(16)7-13)8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyWFKFSKLKBYQSQX-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.63
Rot. Bonds5

About N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide

N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 14143043) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID14143043
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C12H16ClNO2/c1-10(9-15)14(12(16)7-13)8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyWFKFSKLKBYQSQX-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide (CID 14143043) is N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is WFKFSKLKBYQSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-10(9-15)14(12(16)7-13)8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide?
N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 14143043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).