3-bromo-N-cyclopropyl-4,5-dimethylbenzamide

C12H14BrNO — CID 18457798

IUPAC3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC2CC2)cc(Br)c1C
InChIInChI=1S/C12H14BrNO/c1-7-5-9(6-11(13)8(7)2)12(15)14-10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyJEOUOQZZPWILAH-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds2

About 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide

3-bromo-N-cyclopropyl-4,5-dimethylbenzamide (PubChem CID 18457798) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
PubChem CID18457798
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC2CC2)cc(Br)c1C
InChIInChI=1S/C12H14BrNO/c1-7-5-9(6-11(13)8(7)2)12(15)14-10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyJEOUOQZZPWILAH-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide (CID 18457798) is 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide is Cc1cc(C(=O)NC2CC2)cc(Br)c1C.
What is the InChIKey of 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide?
The InChIKey is JEOUOQZZPWILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-7-5-9(6-11(13)8(7)2)12(15)14-10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide?
3-bromo-N-cyclopropyl-4,5-dimethylbenzamide has a molecular weight of 268.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-4,5-dimethylbenzamide is sourced from PubChem (CID 18457798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).