3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H22BrFN2O2 — CID 52815742

IUPAC3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1c(NC(=O)CCc2ccc(Br)cc2F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C21H22BrFN2O2/c1-14-17(21(27)25-11-2-3-12-25)5-4-6-19(14)24-20(26)10-8-15-7-9-16(22)13-18(15)23/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,24,26)
InChIKeyXOBLEPIQTMSYFV-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.70
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 52815742) has the molecular formula C21H22BrFN2O2 and a molecular weight of 433.32 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID52815742
Molecular FormulaC21H22BrFN2O2
Molecular Weight433.32 g/mol
Exact Mass432.08
IUPAC Name3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1c(NC(=O)CCc2ccc(Br)cc2F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C21H22BrFN2O2/c1-14-17(21(27)25-11-2-3-12-25)5-4-6-19(14)24-20(26)10-8-15-7-9-16(22)13-18(15)23/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,24,26)
InChIKeyXOBLEPIQTMSYFV-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide 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-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 60610174
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 47089557
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 52815756
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 52815742) is 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1c(NC(=O)CCc2ccc(Br)cc2F)cccc1C(=O)N1CCCC1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is XOBLEPIQTMSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN2O2/c1-14-17(21(27)25-11-2-3-12-25)5-4-6-19(14)24-20(26)10-8-15-7-9-16(22)13-18(15)23/h4-7,9,13H,2-3,8,10-12H2,1H3,(H,24,26).
What are the key properties of 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 433.32 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 52815742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).