3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C15H20BrFN2O — CID 119742372

IUPAC3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H20BrFN2O/c16-13-8-10(4-5-14(13)17)6-7-19-15(20)11-2-1-3-12(18)9-11/h4-5,8,11-12H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyUPPVIRILCJCPOU-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119742372) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID119742372
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H20BrFN2O/c16-13-8-10(4-5-14(13)17)6-7-19-15(20)11-2-1-3-12(18)9-11/h4-5,8,11-12H,1-3,6-7,9,18H2,(H,19,20)
InChIKeyUPPVIRILCJCPOU-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
methyl 4-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]benzoate;hydrochloride
CID 119701390
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 116587183
3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94631257

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 119742372) is 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UPPVIRILCJCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-13-8-10(4-5-14(13)17)6-7-19-15(20)11-2-1-3-12(18)9-11/h4-5,8,11-12H,1-3,6-7,9,18H2,(H,19,20).
What are the key properties of 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119742372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).