2-bromo-N-[3-(propanoylamino)phenyl]benzamide

C16H15BrN2O2 — CID 877874

IUPAC2-bromo-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-2-15(20)18-11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyMRHAVVLJBCSEMH-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.05
Rot. Bonds4

About 2-bromo-N-[3-(propanoylamino)phenyl]benzamide

2-bromo-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 877874) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-bromo-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID877874
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-bromo-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-2-15(20)18-11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyMRHAVVLJBCSEMH-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(propanoylamino)phenyl]benzamide (CID 877874) is 2-bromo-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is MRHAVVLJBCSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-2-15(20)18-11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-bromo-N-[3-(propanoylamino)phenyl]benzamide?
2-bromo-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 347.21 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 877874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).