4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide

C12H16BrNO2 — CID 131254878

IUPAC4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(=O)N(C)C)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-8(2)16-11-7-9(5-6-10(11)13)12(15)14(3)4/h5-8H,1-4H3
InChIKeyCKBLRCUHMHUBBX-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide

4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide (PubChem CID 131254878) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
PubChem CID131254878
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(C(=O)N(C)C)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-8(2)16-11-7-9(5-6-10(11)13)12(15)14(3)4/h5-8H,1-4H3
InChIKeyCKBLRCUHMHUBBX-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65374064
N-(4-bromo-3-propan-2-yloxyphenyl)-N-fluorocarbamoyl chloride
CID 22151022
3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17232146
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine
CID 143085003
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-bromo-3-(difluoromethoxy)benzoic acid;ethane
CID 144822907
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178089
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide?
The IUPAC name of 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide (CID 131254878) is 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide?
The canonical SMILES for 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide is CC(C)Oc1cc(C(=O)N(C)C)ccc1Br.
What is the InChIKey of 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide?
The InChIKey is CKBLRCUHMHUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)16-11-7-9(5-6-10(11)13)12(15)14(3)4/h5-8H,1-4H3.
What are the key properties of 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide?
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 131254878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).