4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide

C28H25FN2O — CID 70696356

IUPAC4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32)
InChIKeyUUVLZGBRJNIVPH-UHFFFAOYSA-N
MW424.52 g/mol
LogP6.49
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide

4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide (PubChem CID 70696356) has the molecular formula C28H25FN2O and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide
PubChem CID70696356
Molecular FormulaC28H25FN2O
Molecular Weight424.52 g/mol
Exact Mass424.20
IUPAC Name4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32)
InChIKeyUUVLZGBRJNIVPH-UHFFFAOYSA-N
XLogP6.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-(4-fluorophenyl)piperazin-1-yl]-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide (CID 70696356) is 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide is O=C(Nc1ccc2cc(CN3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide?
The InChIKey is UUVLZGBRJNIVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32).
What are the key properties of 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide?
4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide is sourced from PubChem (CID 70696356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).