5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H17BrClNO2 — CID 80709080

IUPAC5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-9(2)18-7-6-16(3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZDDQQXWJLKZRAI-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.60
Rot. Bonds5

About 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 80709080) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID80709080
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-9(2)18-7-6-16(3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZDDQQXWJLKZRAI-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 107185588
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 80709080) is 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCN(C)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is ZDDQQXWJLKZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-9(2)18-7-6-16(3)13(17)11-8-10(14)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 80709080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).