2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide

C14H20ClNO2 — CID 82110113

IUPAC2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
SMILESCC(CNC(=O)CCl)Oc1ccccc1C(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)12-6-4-5-7-13(12)18-11(3)9-16-14(17)8-15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyINLABWAXLGDMDF-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds6

About 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide

2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide (PubChem CID 82110113) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
PubChem CID82110113
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
SMILESCC(CNC(=O)CCl)Oc1ccccc1C(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)12-6-4-5-7-13(12)18-11(3)9-16-14(17)8-15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyINLABWAXLGDMDF-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
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

3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
CID 175366579
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide (CID 82110113) is 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide is CC(CNC(=O)CCl)Oc1ccccc1C(C)C.
What is the InChIKey of 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide?
The InChIKey is INLABWAXLGDMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)12-6-4-5-7-13(12)18-11(3)9-16-14(17)8-15/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide?
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide is sourced from PubChem (CID 82110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).