3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H18BrClN2O — CID 103826722

IUPAC3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClN2O/c1-10(9-18-4-2-3-5-18)17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,17,19)
InChIKeyFVEXICBLSNOCJR-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.32
Rot. Bonds4

About 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 103826722) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID103826722
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClN2O/c1-10(9-18-4-2-3-5-18)17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,17,19)
InChIKeyFVEXICBLSNOCJR-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113286153
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60954918
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 103826722) is 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCC1)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is FVEXICBLSNOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-10(9-18-4-2-3-5-18)17-14(19)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103826722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).