N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide

C15H20BrFN2O — CID 119341100

IUPACN-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1CCCCN1
InChIInChI=1S/C15H20BrFN2O/c1-10(8-11-5-6-13(17)12(16)9-11)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyLLYIFNMJXWLIAF-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide

N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 119341100) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
PubChem CID119341100
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1CCCCN1
InChIInChI=1S/C15H20BrFN2O/c1-10(8-11-5-6-13(17)12(16)9-11)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyLLYIFNMJXWLIAF-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-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-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
CID 100642737
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide (CID 119341100) is N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide is CC(Cc1ccc(F)c(Br)c1)NC(=O)C1CCCCN1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is LLYIFNMJXWLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-10(8-11-5-6-13(17)12(16)9-11)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide?
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119341100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).