3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide

C20H22BrFN2O3 — CID 14894152

IUPAC3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H22BrFN2O3/c1-27-17-9-8-16(21)19(25)18(17)20(26)23-11-15-3-2-10-24(15)12-13-4-6-14(22)7-5-13/h4-9,15,25H,2-3,10-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyPQAIFVHATFSBMU-OAHLLOKOSA-N
MW437.31 g/mol
LogP3.70
Rot. Bonds6

About 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide

3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide (PubChem CID 14894152) has the molecular formula C20H22BrFN2O3 and a molecular weight of 437.31 g/mol. Its IUPAC name is 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
PubChem CID14894152
Molecular FormulaC20H22BrFN2O3
Molecular Weight437.31 g/mol
Exact Mass436.08
IUPAC Name3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H22BrFN2O3/c1-27-17-9-8-16(21)19(25)18(17)20(26)23-11-15-3-2-10-24(15)12-13-4-6-14(22)7-5-13/h4-9,15,25H,2-3,10-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyPQAIFVHATFSBMU-OAHLLOKOSA-N
XLogP3.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The IUPAC name of 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide (CID 14894152) is 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide is COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The InChIKey is PQAIFVHATFSBMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22BrFN2O3/c1-27-17-9-8-16(21)19(25)18(17)20(26)23-11-15-3-2-10-24(15)12-13-4-6-14(22)7-5-13/h4-9,15,25H,2-3,10-12H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide?
3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide has a molecular weight of 437.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 14894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).