N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide

C19H17BrCl2N2O2 — CID 2294764

IUPACN-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H17BrCl2N2O2/c20-13-1-4-15(5-2-13)23-18(25)12-7-9-24(10-8-12)19(26)16-6-3-14(21)11-17(16)22/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyHRJZVVLSCNYYQG-UHFFFAOYSA-N
MW456.17 g/mol
LogP5.25
Rot. Bonds3

About N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide

N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide (PubChem CID 2294764) has the molecular formula C19H17BrCl2N2O2 and a molecular weight of 456.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
PubChem CID2294764
Molecular FormulaC19H17BrCl2N2O2
Molecular Weight456.17 g/mol
Exact Mass453.99
IUPAC NameN-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H17BrCl2N2O2/c20-13-1-4-15(5-2-13)23-18(25)12-7-9-24(10-8-12)19(26)16-6-3-14(21)11-17(16)22/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyHRJZVVLSCNYYQG-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.17
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N'-(4-bromophenyl)-N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]oxamide
CID 3720505
1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
CID 55480232
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 1004020
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide (CID 2294764) is N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is HRJZVVLSCNYYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O2/c20-13-1-4-15(5-2-13)23-18(25)12-7-9-24(10-8-12)19(26)16-6-3-14(21)11-17(16)22/h1-6,11-12H,7-10H2,(H,23,25).
What are the key properties of N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 456.17 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 2294764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).