3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide

C18H20ClNO2 — CID 113100237

IUPAC3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1cccc(OCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)14-5-4-8-17(12-14)22-10-9-20-18(21)15-6-3-7-16(19)11-15/h3-8,11-13H,9-10H2,1-2H3,(H,20,21)
InChIKeyOJONUZYNBOJJJL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.27
Rot. Bonds6

About 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide

3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide (PubChem CID 113100237) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
PubChem CID113100237
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1cccc(OCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)14-5-4-8-17(12-14)22-10-9-20-18(21)15-6-3-7-16(19)11-15/h3-8,11-13H,9-10H2,1-2H3,(H,20,21)
InChIKeyOJONUZYNBOJJJL-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113100241
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide (CID 113100237) is 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide is CC(C)c1cccc(OCCNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide?
The InChIKey is OJONUZYNBOJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13(2)14-5-4-8-17(12-14)22-10-9-20-18(21)15-6-3-7-16(19)11-15/h3-8,11-13H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide?
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113100237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).