1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H16BrF3N2O2 — CID 25471469

IUPAC1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H16BrF3N2O2/c16-12-3-1-11(2-4-12)14(23)21-7-5-10(6-8-21)13(22)20-9-15(17,18)19/h1-4,10H,5-9H2,(H,20,22)
InChIKeyJBYNINGRDRWMBX-UHFFFAOYSA-N
MW393.20 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 25471469) has the molecular formula C15H16BrF3N2O2 and a molecular weight of 393.20 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID25471469
Molecular FormulaC15H16BrF3N2O2
Molecular Weight393.20 g/mol
Exact Mass392.03
IUPAC Name1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H16BrF3N2O2/c16-12-3-1-11(2-4-12)14(23)21-7-5-10(6-8-21)13(22)20-9-15(17,18)19/h1-4,10H,5-9H2,(H,20,22)
InChIKeyJBYNINGRDRWMBX-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
Bromadoline
CID 54753
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
n-Benzyl-4-bromobenzamide
CID 781117
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 4785801
4-bromo-N-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
CID 7696510
4-bromo-N-[2-(1-pyrrolidinyl)ethyl]benzamide
CID 17065286
Benzamide, 3-bromo-N-allyl-
CID 2054582
N-[3-[benzyl(methyl)amino]propyl]-4-bromobenzamide
CID 9049339

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 25471469) is 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is JBYNINGRDRWMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N2O2/c16-12-3-1-11(2-4-12)14(23)21-7-5-10(6-8-21)13(22)20-9-15(17,18)19/h1-4,10H,5-9H2,(H,20,22).
What are the key properties of 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 393.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25471469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).