N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C14H17ClFNO2 — CID 74234343

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C14H17ClFNO2/c1-19-9-14(6-3-7-14)13(18)17-8-10-11(15)4-2-5-12(10)16/h2,4-5H,3,6-9H2,1H3,(H,17,18)
InChIKeyDSGVTRKGQOKDRF-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.91
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 74234343) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID74234343
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCc2c(F)cccc2Cl)CCC1
InChIInChI=1S/C14H17ClFNO2/c1-19-9-14(6-3-7-14)13(18)17-8-10-11(15)4-2-5-12(10)16/h2,4-5H,3,6-9H2,1H3,(H,17,18)
InChIKeyDSGVTRKGQOKDRF-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
N-[[4-(aminomethyl)phenyl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 50973902
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]-4-oxobutanoate
CID 94698209
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243208
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
CID 82533014
1-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 122564924
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
CID 94688694
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 74234343) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)NCc2c(F)cccc2Cl)CCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is DSGVTRKGQOKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-19-9-14(6-3-7-14)13(18)17-8-10-11(15)4-2-5-12(10)16/h2,4-5H,3,6-9H2,1H3,(H,17,18).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 74234343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).