3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide

C13H16BrClN2O — CID 114793555

IUPAC3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H16BrClN2O/c14-11-5-1-4-10(12(11)15)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyPJZPTMJDWKTWIN-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.97
Rot. Bonds4

About 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide

3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793555) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793555
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H16BrClN2O/c14-11-5-1-4-10(12(11)15)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyPJZPTMJDWKTWIN-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793555) is 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide is O=C(NCCC1CCCN1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is PJZPTMJDWKTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-11-5-1-4-10(12(11)15)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18).
What are the key properties of 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide?
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).