5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

C24H20ClF2N3O3 — CID 66635289

IUPAC5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)c(C(=O)N2CCC(F)(F)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H20ClF2N3O3/c25-20-11-19(22(31)29-17-7-4-9-28-13-17)21(33-14-16-5-2-1-3-6-16)12-18(20)23(32)30-10-8-24(26,27)15-30/h1-7,9,11-13H,8,10,14-15H2,(H,29,31)
InChIKeyRACZIHSWOWWRDP-UHFFFAOYSA-N
MW471.89 g/mol
LogP5.05
Rot. Bonds6

About 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (PubChem CID 66635289) has the molecular formula C24H20ClF2N3O3 and a molecular weight of 471.89 g/mol. Its IUPAC name is 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
PubChem CID66635289
Molecular FormulaC24H20ClF2N3O3
Molecular Weight471.89 g/mol
Exact Mass471.12
IUPAC Name5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)c(C(=O)N2CCC(F)(F)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H20ClF2N3O3/c25-20-11-19(22(31)29-17-7-4-9-28-13-17)21(33-14-16-5-2-1-3-6-16)12-18(20)23(32)30-10-8-24(26,27)15-30/h1-7,9,11-13H,8,10,14-15H2,(H,29,31)
InChIKeyRACZIHSWOWWRDP-UHFFFAOYSA-N
XLogP5.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide 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 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (CID 66635289) is 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(Cl)c(C(=O)N2CCC(F)(F)C2)cc1OCc1ccccc1.
What is the InChIKey of 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is RACZIHSWOWWRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O3/c25-20-11-19(22(31)29-17-7-4-9-28-13-17)21(33-14-16-5-2-1-3-6-16)12-18(20)23(32)30-10-8-24(26,27)15-30/h1-7,9,11-13H,8,10,14-15H2,(H,29,31).
What are the key properties of 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 471.89 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,3-difluoropyrrolidine-1-carbonyl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 66635289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).