N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C18H20FN3O2 — CID 131635886

IUPACN-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(F)c2)ccc1C1CNNC1
InChIInChI=1S/C18H20FN3O2/c1-24-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(19)7-12/h2-8,14,21-22H,9-11H2,1H3,(H,20,23)
InChIKeyWGDJTUVMQNTYOE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.96
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635886) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635886
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(F)c2)ccc1C1CNNC1
InChIInChI=1S/C18H20FN3O2/c1-24-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(19)7-12/h2-8,14,21-22H,9-11H2,1H3,(H,20,23)
InChIKeyWGDJTUVMQNTYOE-UHFFFAOYSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[3-[(1-methylcyclopropyl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
CID 131635934
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(3-methylpyrazolidin-4-yl)benzamide
CID 131635937
N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636002
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635886) is N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2cccc(F)c2)ccc1C1CNNC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is WGDJTUVMQNTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-17-8-13(5-6-16(17)14-10-21-22-11-14)18(23)20-9-12-3-2-4-15(19)7-12/h2-8,14,21-22H,9-11H2,1H3,(H,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 329.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).