N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide

C31H24ClF7N2O — CID 87091236

IUPACN-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(Cc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C31H24ClF7N2O/c1-18-14-20(33)12-13-21(18)22-15-27(32)40-17-26(22)41(3)28(42)29(2,24-10-6-7-11-25(24)31(37,38)39)16-19-8-4-5-9-23(19)30(34,35)36/h4-15,17H,16H2,1-3H3
InChIKeyRZMPHUZGHJVTLE-UHFFFAOYSA-N
MW608.99 g/mol
LogP9.05
Rot. Bonds6

About N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide

N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 87091236) has the molecular formula C31H24ClF7N2O and a molecular weight of 608.99 g/mol. Its IUPAC name is N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide
PubChem CID87091236
Molecular FormulaC31H24ClF7N2O
Molecular Weight608.99 g/mol
Exact Mass608.15
IUPAC NameN-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(Cc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C31H24ClF7N2O/c1-18-14-20(33)12-13-21(18)22-15-27(32)40-17-26(22)41(3)28(42)29(2,24-10-6-7-11-25(24)31(37,38)39)16-19-8-4-5-9-23(19)30(34,35)36/h4-15,17H,16H2,1-3H3
InChIKeyRZMPHUZGHJVTLE-UHFFFAOYSA-N
XLogP9.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.99
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide
CID 174497091
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(2,3-dimethylphenyl)-3-pyridinyl]-N,2-dimethylbutanamide
CID 142983647
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(2-chloro-4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide;N,2-dimethylpropanamide
CID 174511791
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide
CID 11534326
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride
CID 18403358
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-oxopyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304884
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 86597702
N-[6-(4-aminopiperidin-1-yl)-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 86597679
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87306136
2-[3-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-methylcyclohexyl]acetic acid
CID 118509733
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[(2-hydroxycyclopentyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 11157666
tert-butyl 4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3,3-bis(hydroxymethyl)-2-oxopyrrolidine-1-carboxylate
CID 87304501

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide (CID 87091236) is N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(Cc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RZMPHUZGHJVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClF7N2O/c1-18-14-20(33)12-13-21(18)22-15-27(32)40-17-26(22)41(3)28(42)29(2,24-10-6-7-11-25(24)31(37,38)39)16-19-8-4-5-9-23(19)30(34,35)36/h4-15,17H,16H2,1-3H3.
What are the key properties of N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide?
N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 608.99 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethyl-2,3-bis[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 87091236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).