2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide

C15H20ClNO3 — CID 114948710

IUPAC2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H20ClNO3/c1-17(11-15(19)7-9-20-10-8-15)14(18)13(16)12-5-3-2-4-6-12/h2-6,13,19H,7-11H2,1H3
InChIKeyRQXMPLIFMNHPLG-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide

2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide (PubChem CID 114948710) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
PubChem CID114948710
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H20ClNO3/c1-17(11-15(19)7-9-20-10-8-15)14(18)13(16)12-5-3-2-4-6-12/h2-6,13,19H,7-11H2,1H3
InChIKeyRQXMPLIFMNHPLG-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
CID 114951541
4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
4-[[(3-bromo-2-phenylpropyl)-methylamino]methyl]oxan-4-ol
CID 114952447
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethyl-3-sulfanylidenepropanamide
CID 114949415
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 112658045
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 114951367
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide (CID 114948710) is 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide is CN(CC1(O)CCOCC1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide?
The InChIKey is RQXMPLIFMNHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-17(11-15(19)7-9-20-10-8-15)14(18)13(16)12-5-3-2-4-6-12/h2-6,13,19H,7-11H2,1H3.
What are the key properties of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide?
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide has a molecular weight of 297.78 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 114948710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).