5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide

C14H20BrNO2 — CID 80709255

IUPAC5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-8-7-16(4)14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyODIJVFPFZWQYAQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide

5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 80709255) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID80709255
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-8-7-16(4)14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyODIJVFPFZWQYAQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
CID 65309176
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
2-(ethylamino)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81074127
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide (CID 80709255) is 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide is Cc1ccc(Br)cc1C(=O)N(C)CCOC(C)C.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is ODIJVFPFZWQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)18-8-7-16(4)14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 80709255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).