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

C14H20BrNO2 — CID 80710198

IUPAC3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-9-8-16(4)14(17)12-6-5-7-13(15)11(12)3/h5-7,10H,8-9H2,1-4H3
InChIKeyCERSZUWZYDKTFY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.25
Rot. Bonds5

About 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide

3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 80710198) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID80710198
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCOC(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-9-8-16(4)14(17)12-6-5-7-13(15)11(12)3/h5-7,10H,8-9H2,1-4H3
InChIKeyCERSZUWZYDKTFY-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

3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
CID 114242783
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
2-(ethylamino)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81074127
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide (CID 80710198) is 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide is Cc1c(Br)cccc1C(=O)N(C)CCOC(C)C.
What is the InChIKey of 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is CERSZUWZYDKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)18-9-8-16(4)14(17)12-6-5-7-13(15)11(12)3/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide?
3-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 3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 80710198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).