3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide

C13H13BrClN3O — CID 105359452

IUPAC3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ncc[nH]1
InChIInChI=1S/C13H13BrClN3O/c1-2-11(12-16-3-4-17-12)18-13(19)8-5-9(14)7-10(15)6-8/h3-7,11H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyWJHYUPATCWTVEG-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.71
Rot. Bonds4

About 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide

3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide (PubChem CID 105359452) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide
PubChem CID105359452
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ncc[nH]1
InChIInChI=1S/C13H13BrClN3O/c1-2-11(12-16-3-4-17-12)18-13(19)8-5-9(14)7-10(15)6-8/h3-7,11H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyWJHYUPATCWTVEG-UHFFFAOYSA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
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(2R)-2-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107938205
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
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3-bromo-5-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 104694810
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
CID 107940559
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
3-hydrazinyl-N-[1-(1H-imidazol-2-yl)propyl]pyridine-4-carboxamide
CID 105072502
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide (CID 105359452) is 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide is CCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ncc[nH]1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide?
The InChIKey is WJHYUPATCWTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-2-11(12-16-3-4-17-12)18-13(19)8-5-9(14)7-10(15)6-8/h3-7,11H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide?
3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide has a molecular weight of 342.62 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 105359452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).