N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide

C13H16FNO2 — CID 115182311

IUPACN-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(CO)CC1
InChIInChI=1S/C13H16FNO2/c1-15(12(17)13(9-16)6-7-13)8-10-2-4-11(14)5-3-10/h2-5,16H,6-9H2,1H3
InChIKeyVOWISKAGXRFEDU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.56
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide

N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182311) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182311
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(CO)CC1
InChIInChI=1S/C13H16FNO2/c1-15(12(17)13(9-16)6-7-13)8-10-2-4-11(14)5-3-10/h2-5,16H,6-9H2,1H3
InChIKeyVOWISKAGXRFEDU-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185381
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128540

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide (CID 115182311) is N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1(CO)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is VOWISKAGXRFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(12(17)13(9-16)6-7-13)8-10-2-4-11(14)5-3-10/h2-5,16H,6-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).