N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide

C19H18BrClN2O2 — CID 108550788

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H18BrClN2O2/c20-14-7-5-13(6-8-14)19(25)23-11-9-15(10-12-23)22-18(24)16-3-1-2-4-17(16)21/h1-8,15H,9-12H2,(H,22,24)
InChIKeyVTXKMAPYGOXIHZ-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.14
Rot. Bonds3

About N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide (PubChem CID 108550788) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
PubChem CID108550788
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H18BrClN2O2/c20-14-7-5-13(6-8-14)19(25)23-11-9-15(10-12-23)22-18(24)16-3-1-2-4-17(16)21/h1-8,15H,9-12H2,(H,22,24)
InChIKeyVTXKMAPYGOXIHZ-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide (CID 108550788) is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide is O=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide?
The InChIKey is VTXKMAPYGOXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c20-14-7-5-13(6-8-14)19(25)23-11-9-15(10-12-23)22-18(24)16-3-1-2-4-17(16)21/h1-8,15H,9-12H2,(H,22,24).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide has a molecular weight of 421.72 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide is sourced from PubChem (CID 108550788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).