4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide

C17H23BrN2O2 — CID 7688748

IUPAC4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C17H23BrN2O2/c18-14-9-7-13(8-10-14)17(22)19-12-11-16(21)20-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,22)(H,20,21)
InChIKeyVGUOVBAABUEQBG-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.41
Rot. Bonds5

About 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide (PubChem CID 7688748) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide
PubChem CID7688748
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C17H23BrN2O2/c18-14-9-7-13(8-10-14)17(22)19-12-11-16(21)20-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,22)(H,20,21)
InChIKeyVGUOVBAABUEQBG-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide (CID 7688748) is 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCC1.
What is the InChIKey of 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide?
The InChIKey is VGUOVBAABUEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c18-14-9-7-13(8-10-14)17(22)19-12-11-16(21)20-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide has a molecular weight of 367.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(cycloheptylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7688748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).