N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide

C12H16ClNO2 — CID 112604074

IUPACN-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(2)16-8-12(15)14-11-5-3-10(7-13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyHSLDGDWKVFCGSG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.79
Rot. Bonds5

About N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide

N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112604074) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112604074
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(2)16-8-12(15)14-11-5-3-10(7-13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyHSLDGDWKVFCGSG-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
N-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yloxyacetamide
CID 112686884

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide (CID 112604074) is N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccc(CCl)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is HSLDGDWKVFCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(2)16-8-12(15)14-11-5-3-10(7-13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide?
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 241.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).