N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide

C14H18BrFN2O — CID 104778149

IUPACN-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)c(Br)c2)CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-10-4-5-12(16)11(15)8-10/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyCGCXGMKWXQBKFV-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.31
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide

N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide (PubChem CID 104778149) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
PubChem CID104778149
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)c(Br)c2)CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-10-4-5-12(16)11(15)8-10/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyCGCXGMKWXQBKFV-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-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

N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide (CID 104778149) is N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2ccc(F)c(Br)c2)CCCNC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is CGCXGMKWXQBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-10-4-5-12(16)11(15)8-10/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 329.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 104778149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).