2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide

C12H13BrClNO2 — CID 107988215

IUPAC2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
SMILESC=COCCCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(14)8-11(10)13/h2,4-5,8H,1,3,6-7H2,(H,15,16)
InChIKeyYMFIPBAAXDPFPI-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.38
Rot. Bonds6

About 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide

2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide (PubChem CID 107988215) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
PubChem CID107988215
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
SMILESC=COCCCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(14)8-11(10)13/h2,4-5,8H,1,3,6-7H2,(H,15,16)
InChIKeyYMFIPBAAXDPFPI-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
methyl 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide (CID 107988215) is 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide is C=COCCCNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide?
The InChIKey is YMFIPBAAXDPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-2-17-7-3-6-15-12(16)10-5-4-9(14)8-11(10)13/h2,4-5,8H,1,3,6-7H2,(H,15,16).
What are the key properties of 2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide?
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide has a molecular weight of 318.60 g/mol, XLogP of 3.38, 6 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-(3-ethenoxypropyl)benzamide is sourced from PubChem (CID 107988215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).