5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide

C16H12BrClN2O — CID 55582791

IUPAC5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H12BrClN2O/c1-10(12-4-2-11(9-19)3-5-12)20-16(21)14-8-13(17)6-7-15(14)18/h2-8,10H,1H3,(H,20,21)
InChIKeyJOQVYIDBWCKMGN-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide

5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide (PubChem CID 55582791) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
PubChem CID55582791
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H12BrClN2O/c1-10(12-4-2-11(9-19)3-5-12)20-16(21)14-8-13(17)6-7-15(14)18/h2-8,10H,1H3,(H,20,21)
InChIKeyJOQVYIDBWCKMGN-UHFFFAOYSA-N
XLogP4.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
CID 114389823
N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 47161800
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide (CID 55582791) is 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide is CC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide?
The InChIKey is JOQVYIDBWCKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-10(12-4-2-11(9-19)3-5-12)20-16(21)14-8-13(17)6-7-15(14)18/h2-8,10H,1H3,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide?
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide has a molecular weight of 363.64 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide is sourced from PubChem (CID 55582791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).