2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

C25H23ClF4N2O3 — CID 87304518

IUPAC2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1
InChIInChI=1S/C25H23ClF4N2O3/c1-14-7-5-6-8-18(14)19-12-21(26)31-13-20(19)32(4)22(33)25(2,3)15-9-16(34-23(27)28)11-17(10-15)35-24(29)30/h5-13,23-24H,1-4H3
InChIKeyIWCCEOUJKWMWOO-UHFFFAOYSA-N
MW510.92 g/mol
LogP6.85
Rot. Bonds8

About 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 87304518) has the molecular formula C25H23ClF4N2O3 and a molecular weight of 510.92 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID87304518
Molecular FormulaC25H23ClF4N2O3
Molecular Weight510.92 g/mol
Exact Mass510.13
IUPAC Name2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1
InChIInChI=1S/C25H23ClF4N2O3/c1-14-7-5-6-8-18(14)19-12-21(26)31-13-20(19)32(4)22(33)25(2,3)15-9-16(34-23(27)28)11-17(10-15)35-24(29)30/h5-13,23-24H,1-4H3
InChIKeyIWCCEOUJKWMWOO-UHFFFAOYSA-N
XLogP6.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.92
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide 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 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 87304518) is 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is Cc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1.
What is the InChIKey of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is IWCCEOUJKWMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF4N2O3/c1-14-7-5-6-8-18(14)19-12-21(26)31-13-20(19)32(4)22(33)25(2,3)15-9-16(34-23(27)28)11-17(10-15)35-24(29)30/h5-13,23-24H,1-4H3.
What are the key properties of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 510.92 g/mol, XLogP of 6.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 87304518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).