5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C19H20BrClN2O — CID 2197490

IUPAC5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H20BrClN2O/c20-15-6-9-18(21)17(12-15)19(24)22-16-7-4-14(5-8-16)13-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyNFPHDSCYIDUVIT-UHFFFAOYSA-N
MW407.74 g/mol
LogP5.34
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 2197490) has the molecular formula C19H20BrClN2O and a molecular weight of 407.74 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID2197490
Molecular FormulaC19H20BrClN2O
Molecular Weight407.74 g/mol
Exact Mass406.04
IUPAC Name5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H20BrClN2O/c20-15-6-9-18(21)17(12-15)19(24)22-16-7-4-14(5-8-16)13-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyNFPHDSCYIDUVIT-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 2197490) is 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is NFPHDSCYIDUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O/c20-15-6-9-18(21)17(12-15)19(24)22-16-7-4-14(5-8-16)13-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24).
What are the key properties of 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 407.74 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 2197490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).