4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

C13H16BrFN2O — CID 104955112

IUPAC4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCN1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O/c14-11-4-3-9(8-12(11)15)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyXABRBVGRYSCFEL-JTQLQIEISA-N
MW315.19 g/mol
LogP2.46
Rot. Bonds4

About 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104955112) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104955112
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@@H]1CCCN1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2O/c14-11-4-3-9(8-12(11)15)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyXABRBVGRYSCFEL-JTQLQIEISA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-5-carboxamide
CID 104971982
N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114793811
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (CID 104955112) is 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is O=C(NCC[C@@H]1CCCN1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is XABRBVGRYSCFEL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-11-4-3-9(8-12(11)15)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 315.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104955112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).