3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide

C20H21FN2O2 — CID 109051825

IUPAC3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C20H21FN2O2/c21-18-11-4-1-6-16(18)13-22-19(24)14-7-5-8-15(12-14)20(25)23-17-9-2-3-10-17/h1,4-8,11-12,17H,2-3,9-10,13H2,(H,22,24)(H,23,25)
InChIKeyLFCFBNNRRHZHDB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.43
Rot. Bonds5

About 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide

3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109051825) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109051825
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C20H21FN2O2/c21-18-11-4-1-6-16(18)13-22-19(24)14-7-5-8-15(12-14)20(25)23-17-9-2-3-10-17/h1,4-8,11-12,17H,2-3,9-10,13H2,(H,22,24)(H,23,25)
InChIKeyLFCFBNNRRHZHDB-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopentyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109080710
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109051825) is 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is O=C(NCc1ccccc1F)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is LFCFBNNRRHZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-11-4-1-6-16(18)13-22-19(24)14-7-5-8-15(12-14)20(25)23-17-9-2-3-10-17/h1,4-8,11-12,17H,2-3,9-10,13H2,(H,22,24)(H,23,25).
What are the key properties of 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).