4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

C16H20BrClN2O — CID 106628579

IUPAC4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)c(Cl)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20BrClN2O/c17-14-6-3-12(8-15(14)18)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
InChIKeyNDUWDUASUILOGK-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide

4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106628579) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106628579
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)c(Cl)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H20BrClN2O/c17-14-6-3-12(8-15(14)18)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
InChIKeyNDUWDUASUILOGK-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

Analyze 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-3-chloro-N-cyclopropylbenzamide
CID 81294852

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide (CID 106628579) is 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is O=C(c1ccc(Br)c(Cl)c1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is NDUWDUASUILOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c17-14-6-3-12(8-15(14)18)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 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106628579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).