2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide

C18H20BrNO2 — CID 2302649

IUPAC2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccc(OCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-5-14-8-10-15(11-9-14)22-13-12-20-18(21)16-6-3-4-7-17(16)19/h3-4,6-11H,2,5,12-13H2,1H3,(H,20,21)
InChIKeySSLLBEVIPZZPJQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.21
Rot. Bonds7

About 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide

2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide (PubChem CID 2302649) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide
PubChem CID2302649
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccc(OCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-2-5-14-8-10-15(11-9-14)22-13-12-20-18(21)16-6-3-4-7-17(16)19/h3-4,6-11H,2,5,12-13H2,1H3,(H,20,21)
InChIKeySSLLBEVIPZZPJQ-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.21
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

Tiropramide
CID 42262
N-(4-methoxyphenethyl)benzamide
CID 3083797
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 2222974
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
N-(2-phenoxyethyl)benzamide
CID 1811246
Tiropramide Hydrochloride
CID 134448
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
Acidissiminin
CID 6442730
Acidissiminol
CID 14506785

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide (CID 2302649) is 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide is CCCc1ccc(OCCNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide?
The InChIKey is SSLLBEVIPZZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-2-5-14-8-10-15(11-9-14)22-13-12-20-18(21)16-6-3-4-7-17(16)19/h3-4,6-11H,2,5,12-13H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide?
2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-propylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2302649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).