3,5-dibromo-N-(2-phenylethyl)benzamide

C15H13Br2NO — CID 107980021

IUPAC3,5-dibromo-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2NO/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyGCEVYFTWYGRELZ-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.18
Rot. Bonds4

About 3,5-dibromo-N-(2-phenylethyl)benzamide

3,5-dibromo-N-(2-phenylethyl)benzamide (PubChem CID 107980021) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-phenylethyl)benzamide
PubChem CID107980021
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3,5-dibromo-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2NO/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyGCEVYFTWYGRELZ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
3-methyl-5-(2-phenylethylcarbamoyl)benzoic acid
CID 68605911
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 55704215
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-bromo-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607477
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-phenylethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-phenylethyl)benzamide (CID 107980021) is 3,5-dibromo-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-phenylethyl)benzamide?
The InChIKey is GCEVYFTWYGRELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,19).
What are the key properties of 3,5-dibromo-N-(2-phenylethyl)benzamide?
3,5-dibromo-N-(2-phenylethyl)benzamide has a molecular weight of 383.08 g/mol, XLogP of 4.18, 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 107980021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).