3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H13BrClN3O — CID 103994641

IUPAC3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrClN3O/c1-9(8-18-7-3-6-16-18)17-13(19)10-4-2-5-11(14)12(10)15/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyMLICQXCMRFUQCG-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.12
Rot. Bonds4

About 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 103994641) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID103994641
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrClN3O/c1-9(8-18-7-3-6-16-18)17-13(19)10-4-2-5-11(14)12(10)15/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyMLICQXCMRFUQCG-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
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CID 103990835
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103975283
3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
CID 122136457
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 103994641) is 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is MLICQXCMRFUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-9(8-18-7-3-6-16-18)17-13(19)10-4-2-5-11(14)12(10)15/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 342.62 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103994641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).