2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide

C16H15BrClNO2 — CID 103763433

IUPAC2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-11-3-2-4-13(9-11)21-8-7-19-16(20)14-6-5-12(18)10-15(14)17/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyXJKVHNZRTIPZJB-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.22
Rot. Bonds5

About 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide

2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 103763433) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID103763433
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-11-3-2-4-13(9-11)21-8-7-19-16(20)14-6-5-12(18)10-15(14)17/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyXJKVHNZRTIPZJB-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.22
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

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18115644
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 103763433) is 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is XJKVHNZRTIPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-11-3-2-4-13(9-11)21-8-7-19-16(20)14-6-5-12(18)10-15(14)17/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide?
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 103763433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).