2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide

C13H18ClNO2 — CID 43701714

IUPAC2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)CCl
InChIInChI=1S/C13H18ClNO2/c1-9(2)17-12-7-5-4-6-11(12)10(3)15-13(16)8-14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyFUGZSDKNJGKVGN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.89
Rot. Bonds5

About 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide

2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 43701714) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID43701714
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)CCl
InChIInChI=1S/C13H18ClNO2/c1-9(2)17-12-7-5-4-6-11(12)10(3)15-13(16)8-14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyFUGZSDKNJGKVGN-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.89
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

2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
CID 60941628
N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287379
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618478
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide (CID 43701714) is 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccccc1C(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is FUGZSDKNJGKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)17-12-7-5-4-6-11(12)10(3)15-13(16)8-14/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide?
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43701714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).