3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide

C16H14Br3NO — CID 107980228

IUPAC3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Br)cc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br3NO/c1-2-15(10-3-5-12(17)6-4-10)20-16(21)11-7-13(18)9-14(19)8-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyPIIPRQBHKRYKLM-UHFFFAOYSA-N
MW476.01 g/mol
LogP5.86
Rot. Bonds4

About 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide

3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide (PubChem CID 107980228) has the molecular formula C16H14Br3NO and a molecular weight of 476.01 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
PubChem CID107980228
Molecular FormulaC16H14Br3NO
Molecular Weight476.01 g/mol
Exact Mass472.86
IUPAC Name3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Br)cc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br3NO/c1-2-15(10-3-5-12(17)6-4-10)20-16(21)11-7-13(18)9-14(19)8-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyPIIPRQBHKRYKLM-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.01
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[(1S)-1-(4-bromophenyl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164187
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953
2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
CID 60666299
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide (CID 107980228) is 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide is CCC(NC(=O)c1cc(Br)cc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide?
The InChIKey is PIIPRQBHKRYKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br3NO/c1-2-15(10-3-5-12(17)6-4-10)20-16(21)11-7-13(18)9-14(19)8-11/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide?
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide has a molecular weight of 476.01 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide is sourced from PubChem (CID 107980228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).