4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide

C19H19BrClFN2O — CID 145429498

IUPAC4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccc(Br)c(CN2CCCCC2)c1
InChIInChI=1S/C19H19BrClFN2O/c20-16-6-4-13(10-14(16)12-24-8-2-1-3-9-24)19(25)23-15-5-7-17(21)18(22)11-15/h4-7,10-11H,1-3,8-9,12H2,(H,23,25)
InChIKeyVPZHUVNRVNLOPA-UHFFFAOYSA-N
MW425.73 g/mol
LogP5.48
Rot. Bonds4

About 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide

4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide (PubChem CID 145429498) has the molecular formula C19H19BrClFN2O and a molecular weight of 425.73 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide
PubChem CID145429498
Molecular FormulaC19H19BrClFN2O
Molecular Weight425.73 g/mol
Exact Mass424.04
IUPAC Name4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccc(Br)c(CN2CCCCC2)c1
InChIInChI=1S/C19H19BrClFN2O/c20-16-6-4-13(10-14(16)12-24-8-2-1-3-9-24)19(25)23-15-5-7-17(21)18(22)11-15/h4-7,10-11H,1-3,8-9,12H2,(H,23,25)
InChIKeyVPZHUVNRVNLOPA-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.73
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
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CID 43922202
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
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CID 81295822
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928368

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide (CID 145429498) is 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide is O=C(Nc1ccc(Cl)c(F)c1)c1ccc(Br)c(CN2CCCCC2)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide?
The InChIKey is VPZHUVNRVNLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O/c20-16-6-4-13(10-14(16)12-24-8-2-1-3-9-24)19(25)23-15-5-7-17(21)18(22)11-15/h4-7,10-11H,1-3,8-9,12H2,(H,23,25).
What are the key properties of 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide?
4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide has a molecular weight of 425.73 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 145429498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).