2-bromo-N-(1-phenylpropyl)benzamide

C16H16BrNO — CID 2961148

IUPAC2-bromo-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyDROHQLCMPSMWJO-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.33
Rot. Bonds4

About 2-bromo-N-(1-phenylpropyl)benzamide

2-bromo-N-(1-phenylpropyl)benzamide (PubChem CID 2961148) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-phenylpropyl)benzamide
PubChem CID2961148
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyDROHQLCMPSMWJO-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(1-phenylpropyl)benzamide (CID 2961148) is 2-bromo-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(1-phenylpropyl)benzamide?
The InChIKey is DROHQLCMPSMWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17/h3-11,15H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(1-phenylpropyl)benzamide?
2-bromo-N-(1-phenylpropyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 2961148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).