N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide

C20H21FN2O2 — CID 579553

IUPACN-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)
InChIKeyPHZPENDOJDYGKP-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.09
Rot. Bonds3

About N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide

N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide (PubChem CID 579553) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
PubChem CID579553
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)
InChIKeyPHZPENDOJDYGKP-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide (CID 579553) is N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide?
The InChIKey is PHZPENDOJDYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide?
N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide has a molecular weight of 340.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 579553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).