N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide

C11H12ClNO3 — CID 91054155

IUPACN-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(Cl)C2CO2)cc1
InChIInChI=1S/C11H12ClNO3/c1-7(14)13-8-2-4-9(5-3-8)16-11(12)10-6-15-10/h2-5,10-11H,6H2,1H3,(H,13,14)
InChIKeyHBGPOMKNBCHJSX-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide

N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide (PubChem CID 91054155) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide
PubChem CID91054155
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(Cl)C2CO2)cc1
InChIInChI=1S/C11H12ClNO3/c1-7(14)13-8-2-4-9(5-3-8)16-11(12)10-6-15-10/h2-5,10-11H,6H2,1H3,(H,13,14)
InChIKeyHBGPOMKNBCHJSX-UHFFFAOYSA-N
XLogP1.99
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenoxy)-2-fluoroacetic acid
CID 79357671
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
[(3R,4S,5R,6S)-6-(4-acetamidophenoxy)-4,5-diacetyloxyoxan-3-yl] acetate
CID 11101630
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide (CID 91054155) is N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC(Cl)C2CO2)cc1.
What is the InChIKey of N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide?
The InChIKey is HBGPOMKNBCHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(14)13-8-2-4-9(5-3-8)16-11(12)10-6-15-10/h2-5,10-11H,6H2,1H3,(H,13,14).
What are the key properties of N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide?
N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide has a molecular weight of 241.67 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(oxiran-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 91054155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).