5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

C16H20BrClN2O — CID 106628689

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20BrClN2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2
InChIKeySSDGPCPVLKMOCC-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628689) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628689
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Cl)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20BrClN2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2
InChIKeySSDGPCPVLKMOCC-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
CID 60956316
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (CID 106628689) is 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is O=C(c1cc(Br)ccc1Cl)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is SSDGPCPVLKMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c17-12-3-6-15(18)14(8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h3,6,8,11,13,19H,1-2,4-5,7,9-10H2.
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 371.71 g/mol, XLogP of 3.71, 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-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).