N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide

C12H16ClNO2 — CID 60949796

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

About N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide

N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide (PubChem CID 60949796) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide
PubChem CID60949796
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide
SMILESCC(Cl)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-10(13)12(16)14(7-8-15)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyFTLBJVQZYJDAAD-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-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide (CID 60949796) is N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide is CC(Cl)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide?
The InChIKey is FTLBJVQZYJDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-10(13)12(16)14(7-8-15)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide?
N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide 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-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 60949796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).