N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

C14H18FNO2 — CID 115184122

IUPACN-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1(CO)CCC1
InChIInChI=1S/C14H18FNO2/c1-16(9-11-5-2-3-6-12(11)15)13(18)14(10-17)7-4-8-14/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyCCNVJUSIYHHIJL-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.95
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115184122) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115184122
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1(CO)CCC1
InChIInChI=1S/C14H18FNO2/c1-16(9-11-5-2-3-6-12(11)15)13(18)14(10-17)7-4-8-14/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyCCNVJUSIYHHIJL-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079
1-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80589290
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 55329322
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241957
1-ethylsulfonyl-N-[(2-fluorophenyl)methyl]-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78816390

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (CID 115184122) is N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is CN(Cc1ccccc1F)C(=O)C1(CO)CCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is CCNVJUSIYHHIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(9-11-5-2-3-6-12(11)15)13(18)14(10-17)7-4-8-14/h2-3,5-6,17H,4,7-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115184122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).