N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide

C14H16BrClFN3O2 — CID 155244466

IUPACN-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2c(C(N)=O)cc(Cl)c(Br)c2F)CC1
InChIInChI=1S/C14H16BrClFN3O2/c1-20-4-2-7(3-5-20)14(22)19-12-8(13(18)21)6-9(16)10(15)11(12)17/h6-7H,2-5H2,1H3,(H2,18,21)(H,19,22)
InChIKeyLZOQXRZAYHHQTN-UHFFFAOYSA-N
MW392.66 g/mol
LogP2.62
Rot. Bonds3

About N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide

N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide (PubChem CID 155244466) has the molecular formula C14H16BrClFN3O2 and a molecular weight of 392.66 g/mol. Its IUPAC name is N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide
PubChem CID155244466
Molecular FormulaC14H16BrClFN3O2
Molecular Weight392.66 g/mol
Exact Mass391.01
IUPAC NameN-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2c(C(N)=O)cc(Cl)c(Br)c2F)CC1
InChIInChI=1S/C14H16BrClFN3O2/c1-20-4-2-7(3-5-20)14(22)19-12-8(13(18)21)6-9(16)10(15)11(12)17/h6-7H,2-5H2,1H3,(H2,18,21)(H,19,22)
InChIKeyLZOQXRZAYHHQTN-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-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

N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide
CID 155244403
N-(6-carbamoyl-3-chloro-2-hydroxyphenyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 141051752
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-(5-bromo-2-carbamoyl-4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide;tert-butyl formate
CID 178029268
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
CID 43018274
N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56532804
N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 90128549
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39213693

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide (CID 155244466) is N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2c(C(N)=O)cc(Cl)c(Br)c2F)CC1.
What is the InChIKey of N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is LZOQXRZAYHHQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFN3O2/c1-20-4-2-7(3-5-20)14(22)19-12-8(13(18)21)6-9(16)10(15)11(12)17/h6-7H,2-5H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide?
N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 392.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155244466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).