4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide

C15H21FN2O2 — CID 61043138

IUPAC4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-2,5-6,11,13-14,18-19H,3-4,7-9H2,(H2,17,20)
InChIKeyMGWPZSVHRLNKOV-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.49
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide

4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide (PubChem CID 61043138) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
PubChem CID61043138
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-2,5-6,11,13-14,18-19H,3-4,7-9H2,(H2,17,20)
InChIKeyMGWPZSVHRLNKOV-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[(1-oxothian-4-yl)amino]ethanol
CID 113479901
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 43791713
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 115523776
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide (CID 61043138) is 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is MGWPZSVHRLNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-2,5-6,11,13-14,18-19H,3-4,7-9H2,(H2,17,20).
What are the key properties of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide?
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61043138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).