N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide

C17H21F2NO — CID 146136290

IUPACN-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCC2(CC1)CC2
InChIInChI=1S/C17H21F2NO/c1-20(11-12-2-3-14(18)15(19)10-12)16(21)13-4-6-17(7-5-13)8-9-17/h2-3,10,13H,4-9,11H2,1H3
InChIKeyBBYKJLFBSJGPPD-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.89
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide (PubChem CID 146136290) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
PubChem CID146136290
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCC2(CC1)CC2
InChIInChI=1S/C17H21F2NO/c1-20(11-12-2-3-14(18)15(19)10-12)16(21)13-4-6-17(7-5-13)8-9-17/h2-3,10,13H,4-9,11H2,1H3
InChIKeyBBYKJLFBSJGPPD-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128540
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
CID 55966830
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
CID 126677135
5-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-N-methylpyrazolidine-3-carboxamide
CID 75264161
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide (CID 146136290) is N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)C1CCC2(CC1)CC2.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide?
The InChIKey is BBYKJLFBSJGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-20(11-12-2-3-14(18)15(19)10-12)16(21)13-4-6-17(7-5-13)8-9-17/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 146136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).