1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C20H19BrCl2N2O2 — CID 1004020

IUPAC1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrCl2N2O2/c21-16-4-1-14(2-5-16)20(27)25-9-7-13(8-10-25)19(26)24-12-15-3-6-17(22)11-18(15)23/h1-6,11,13H,7-10,12H2,(H,24,26)
InChIKeySLMBZGFWANANNT-UHFFFAOYSA-N
MW470.19 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 1004020) has the molecular formula C20H19BrCl2N2O2 and a molecular weight of 470.19 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID1004020
Molecular FormulaC20H19BrCl2N2O2
Molecular Weight470.19 g/mol
Exact Mass468.00
IUPAC Name1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrCl2N2O2/c21-16-4-1-14(2-5-16)20(27)25-9-7-13(8-10-25)19(26)24-12-15-3-6-17(22)11-18(15)23/h1-6,11,13H,7-10,12H2,(H,24,26)
InChIKeySLMBZGFWANANNT-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.19
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 24504712
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 44591952
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
CID 2294764
3-chloro-4-[(cyclopropanecarbonylamino)methyl]-N-hydroxybenzenecarboximidoyl chloride
CID 87302947
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 1004020) is 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SLMBZGFWANANNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrCl2N2O2/c21-16-4-1-14(2-5-16)20(27)25-9-7-13(8-10-25)19(26)24-12-15-3-6-17(22)11-18(15)23/h1-6,11,13H,7-10,12H2,(H,24,26).
What are the key properties of 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 470.19 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1004020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).