N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide

C19H19BrClFN2O — CID 43920134

IUPACN-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C19H19BrClFN2O/c20-15-6-1-2-9-18(15)23-19(25)13-5-4-10-24(11-13)12-14-16(21)7-3-8-17(14)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25)
InChIKeyYHOUVVOLJMGRRK-UHFFFAOYSA-N
MW425.73 g/mol
LogP5.09
Rot. Bonds4

About N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43920134) has the molecular formula C19H19BrClFN2O and a molecular weight of 425.73 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43920134
Molecular FormulaC19H19BrClFN2O
Molecular Weight425.73 g/mol
Exact Mass424.04
IUPAC NameN-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C19H19BrClFN2O/c20-15-6-1-2-9-18(15)23-19(25)13-5-4-10-24(11-13)12-14-16(21)7-3-8-17(14)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25)
InChIKeyYHOUVVOLJMGRRK-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43921762
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
methyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43920291
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43920134) is N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccccc1Br)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YHOUVVOLJMGRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O/c20-15-6-1-2-9-18(15)23-19(25)13-5-4-10-24(11-13)12-14-16(21)7-3-8-17(14)22/h1-3,6-9,13H,4-5,10-12H2,(H,23,25).
What are the key properties of N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 425.73 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).