3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 119808982

IUPAC3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(OCCF)c2)C1
InChIInChI=1S/C15H21FN2O2.ClH/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11;/h2,5-6,10-12H,1,3-4,7-9,17H2,(H,18,19);1H
InChIKeyKHZICFUVAULEPR-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119808982) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119808982
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(OCCF)c2)C1
InChIInChI=1S/C15H21FN2O2.ClH/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11;/h2,5-6,10-12H,1,3-4,7-9,17H2,(H,18,19);1H
InChIKeyKHZICFUVAULEPR-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
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3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119808982) is 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cccc(OCCF)c2)C1.
What is the InChIKey of 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KHZICFUVAULEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11;/h2,5-6,10-12H,1,3-4,7-9,17H2,(H,18,19);1H.
What are the key properties of 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119808982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).