2-bromo-N-propylbenzamide

C10H12BrNO — CID 4653287

IUPAC2-bromo-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXNIZYPMLUVRLJS-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.59
Rot. Bonds3

About 2-bromo-N-propylbenzamide

2-bromo-N-propylbenzamide (PubChem CID 4653287) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-propylbenzamide
PubChem CID4653287
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXNIZYPMLUVRLJS-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propylbenzamide?
The IUPAC name of 2-bromo-N-propylbenzamide (CID 4653287) is 2-bromo-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-propylbenzamide is CCCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-propylbenzamide?
The InChIKey is XNIZYPMLUVRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-propylbenzamide?
2-bromo-N-propylbenzamide has a molecular weight of 242.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propylbenzamide is sourced from PubChem (CID 4653287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).