N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide

C18H19ClFN3O — CID 131636009

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
SMILESCc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1C1CNNC1
InChIInChI=1S/C18H19ClFN3O/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)18(24)21-10-15-16(19)3-2-4-17(15)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24)
InChIKeyGOHFRKIHODFBOM-UHFFFAOYSA-N
MW347.82 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636009) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
PubChem CID131636009
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
SMILESCc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1C1CNNC1
InChIInChI=1S/C18H19ClFN3O/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)18(24)21-10-15-16(19)3-2-4-17(15)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24)
InChIKeyGOHFRKIHODFBOM-UHFFFAOYSA-N
XLogP2.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide (CID 131636009) is N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide is Cc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1C1CNNC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
The InChIKey is GOHFRKIHODFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)18(24)21-10-15-16(19)3-2-4-17(15)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide has a molecular weight of 347.82 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).