3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide

C34H27Cl2FN2O2 — CID 71246375

IUPAC3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide
SMILESCc1ncccc1COc1ccc(C(C(=O)Nc2ccccc2)C(c2ccccc2)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C34H27Cl2FN2O2/c1-22-25(11-8-18-38-22)21-41-27-16-14-24(15-17-27)33(34(40)39-26-12-6-3-7-13-26)32(23-9-4-2-5-10-23)28-19-31(37)30(36)20-29(28)35/h2-20,32-33H,21H2,1H3,(H,39,40)
InChIKeyYAOGSUZQKHJFTA-UHFFFAOYSA-N
MW585.51 g/mol
LogP8.97
Rot. Bonds9

About 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide

3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide (PubChem CID 71246375) has the molecular formula C34H27Cl2FN2O2 and a molecular weight of 585.51 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide
PubChem CID71246375
Molecular FormulaC34H27Cl2FN2O2
Molecular Weight585.51 g/mol
Exact Mass584.14
IUPAC Name3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide
SMILESCc1ncccc1COc1ccc(C(C(=O)Nc2ccccc2)C(c2ccccc2)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C34H27Cl2FN2O2/c1-22-25(11-8-18-38-22)21-41-27-16-14-24(15-17-27)33(34(40)39-26-12-6-3-7-13-26)32(23-9-4-2-5-10-23)28-19-31(37)30(36)20-29(28)35/h2-20,32-33H,21H2,1H3,(H,39,40)
InChIKeyYAOGSUZQKHJFTA-UHFFFAOYSA-N
XLogP8.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.51
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide?
The IUPAC name of 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide (CID 71246375) is 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide.
What is the SMILES notation for 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide?
The canonical SMILES for 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide is Cc1ncccc1COc1ccc(C(C(=O)Nc2ccccc2)C(c2ccccc2)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide?
The InChIKey is YAOGSUZQKHJFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27Cl2FN2O2/c1-22-25(11-8-18-38-22)21-41-27-16-14-24(15-17-27)33(34(40)39-26-12-6-3-7-13-26)32(23-9-4-2-5-10-23)28-19-31(37)30(36)20-29(28)35/h2-20,32-33H,21H2,1H3,(H,39,40).
What are the key properties of 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide?
3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide has a molecular weight of 585.51 g/mol, XLogP of 8.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide is sourced from PubChem (CID 71246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).