N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C15H20FNO2 — CID 115182483

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyIYSMZENXAOEEMZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 115182483) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID115182483
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyIYSMZENXAOEEMZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182484
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 115182483) is N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(CO)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is IYSMZENXAOEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).