4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C19H19BrN2O2 — CID 1039688

IUPAC4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN2O2/c20-16-8-4-14(5-9-16)18(23)21-17-10-6-15(7-11-17)19(24)22-12-2-1-3-13-22/h4-11H,1-3,12-13H2,(H,21,23)
InChIKeyMDMKWYMGSIYUHK-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.33
Rot. Bonds3

About 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 1039688) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID1039688
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN2O2/c20-16-8-4-14(5-9-16)18(23)21-17-10-6-15(7-11-17)19(24)22-12-2-1-3-13-22/h4-11H,1-3,12-13H2,(H,21,23)
InChIKeyMDMKWYMGSIYUHK-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 1039688) is 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is MDMKWYMGSIYUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-16-8-4-14(5-9-16)18(23)21-17-10-6-15(7-11-17)19(24)22-12-2-1-3-13-22/h4-11H,1-3,12-13H2,(H,21,23).
What are the key properties of 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 387.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).