3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide

C20H23FN2O2 — CID 56890283

IUPAC3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCNCC1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)16-3-1-4-17(13-16)19(24)23-14-20(25)9-2-11-22-12-10-20/h1,3-8,13,22,25H,2,9-12,14H2,(H,23,24)
InChIKeyAJHBDDKFAWOYBX-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.73
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide

3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide (PubChem CID 56890283) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide
PubChem CID56890283
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCNCC1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)16-3-1-4-17(13-16)19(24)23-14-20(25)9-2-11-22-12-10-20/h1,3-8,13,22,25H,2,9-12,14H2,(H,23,24)
InChIKeyAJHBDDKFAWOYBX-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide (CID 56890283) is 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide is O=C(NCC1(O)CCCNCC1)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide?
The InChIKey is AJHBDDKFAWOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)16-3-1-4-17(13-16)19(24)23-14-20(25)9-2-11-22-12-10-20/h1,3-8,13,22,25H,2,9-12,14H2,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide?
3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-hydroxyazepan-4-yl)methyl]benzamide is sourced from PubChem (CID 56890283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).