3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C13H17BrClFN2O — CID 119706250

IUPAC3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-11-5-4-10(7-12(11)15)17-13(18)8-2-1-3-9(16)6-8;/h4-5,7-9H,1-3,6,16H2,(H,17,18);1H
InChIKeyCHCBVSFJSPVTFE-UHFFFAOYSA-N
MW351.65 g/mol
LogP3.47
Rot. Bonds2

About 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119706250) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119706250
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-11-5-4-10(7-12(11)15)17-13(18)8-2-1-3-9(16)6-8;/h4-5,7-9H,1-3,6,16H2,(H,17,18);1H
InChIKeyCHCBVSFJSPVTFE-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63042324
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3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119706250) is 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CHCBVSFJSPVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c14-11-5-4-10(7-12(11)15)17-13(18)8-2-1-3-9(16)6-8;/h4-5,7-9H,1-3,6,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119706250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).