1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide

C17H24FNO2 — CID 71787603

IUPAC1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)14(20)8-11-19-15(21)17(9-10-17)12-4-6-13(18)7-5-12/h4-7,14,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyRHLPEUDANMXFAD-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide (PubChem CID 71787603) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide
PubChem CID71787603
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)14(20)8-11-19-15(21)17(9-10-17)12-4-6-13(18)7-5-12/h4-7,14,20H,8-11H2,1-3H3,(H,19,21)
InChIKeyRHLPEUDANMXFAD-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide (CID 71787603) is 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide is CC(C)(C)C(O)CCNC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide?
The InChIKey is RHLPEUDANMXFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(2,3)14(20)8-11-19-15(21)17(9-10-17)12-4-6-13(18)7-5-12/h4-7,14,20H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide has a molecular weight of 293.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).