2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide

C17H23Cl2FN2O — CID 60573604

IUPAC2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C17H23Cl2FN2O/c1-10-4-11(2)8-22(7-10)9-12(3)21-17(23)13-5-16(20)15(19)6-14(13)18/h5-6,10-12H,4,7-9H2,1-3H3,(H,21,23)
InChIKeyLBBYCOGMXJHOMG-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.23
Rot. Bonds4

About 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide

2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide (PubChem CID 60573604) has the molecular formula C17H23Cl2FN2O and a molecular weight of 361.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide
PubChem CID60573604
Molecular FormulaC17H23Cl2FN2O
Molecular Weight361.29 g/mol
Exact Mass360.12
IUPAC Name2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C17H23Cl2FN2O/c1-10-4-11(2)8-22(7-10)9-12(3)21-17(23)13-5-16(20)15(19)6-14(13)18/h5-6,10-12H,4,7-9H2,1-3H3,(H,21,23)
InChIKeyLBBYCOGMXJHOMG-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide (CID 60573604) is 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide is CC1CC(C)CN(CC(C)NC(=O)c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide?
The InChIKey is LBBYCOGMXJHOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2FN2O/c1-10-4-11(2)8-22(7-10)9-12(3)21-17(23)13-5-16(20)15(19)6-14(13)18/h5-6,10-12H,4,7-9H2,1-3H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide?
2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide has a molecular weight of 361.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide is sourced from PubChem (CID 60573604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).