3-bromo-2-propylbenzamide

C10H12BrNO — CID 69458474

IUPAC3-bromo-2-propylbenzamide
SMILESCCCc1c(Br)cccc1C(N)=O
InChIInChI=1S/C10H12BrNO/c1-2-4-7-8(10(12)13)5-3-6-9(7)11/h3,5-6H,2,4H2,1H3,(H2,12,13)
InChIKeyLXRXPZNPOSZXTK-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.50
Rot. Bonds3

About 3-bromo-2-propylbenzamide

3-bromo-2-propylbenzamide (PubChem CID 69458474) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-2-propylbenzamide.

Molecular Properties

Compound Name3-bromo-2-propylbenzamide
PubChem CID69458474
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-bromo-2-propylbenzamide
SMILESCCCc1c(Br)cccc1C(N)=O
InChIInChI=1S/C10H12BrNO/c1-2-4-7-8(10(12)13)5-3-6-9(7)11/h3,5-6H,2,4H2,1H3,(H2,12,13)
InChIKeyLXRXPZNPOSZXTK-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-ethylbenzoate
CID 86307338
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3,4-dimethyl-2-propylbenzamide
CID 154390636
2-methyl-3-propylbenzamide
CID 66693156
2-bromobenzamide;hydrochloride
CID 68911907
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
CID 160937062
CID 160937062
1-bromo-3-(3-bromo-2-propylphenoxy)-2-propylbenzene
CID 172704493
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
3-propylpyridine-2,4-dicarboxamide
CID 141047751
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-propylbenzamide?
The IUPAC name of 3-bromo-2-propylbenzamide (CID 69458474) is 3-bromo-2-propylbenzamide.
What is the SMILES notation for 3-bromo-2-propylbenzamide?
The canonical SMILES for 3-bromo-2-propylbenzamide is CCCc1c(Br)cccc1C(N)=O.
What is the InChIKey of 3-bromo-2-propylbenzamide?
The InChIKey is LXRXPZNPOSZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-4-7-8(10(12)13)5-3-6-9(7)11/h3,5-6H,2,4H2,1H3,(H2,12,13).
What are the key properties of 3-bromo-2-propylbenzamide?
3-bromo-2-propylbenzamide has a molecular weight of 242.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-propylbenzamide is sourced from PubChem (CID 69458474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).