N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide

C11H12F2N2O2 — CID 115158683

IUPACN-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2CNC2)cc1F
InChIInChI=1S/C11H12F2N2O2/c1-17-10-3-7(12)9(2-8(10)13)15-11(16)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyVXIDHGGIXZEQFR-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.13
Rot. Bonds3

About N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide

N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide (PubChem CID 115158683) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
PubChem CID115158683
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC NameN-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2CNC2)cc1F
InChIInChI=1S/C11H12F2N2O2/c1-17-10-3-7(12)9(2-8(10)13)15-11(16)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyVXIDHGGIXZEQFR-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 126772611
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
CID 119812880
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide (CID 115158683) is N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide is COc1cc(F)c(NC(=O)C2CNC2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide?
The InChIKey is VXIDHGGIXZEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-17-10-3-7(12)9(2-8(10)13)15-11(16)6-4-14-5-6/h2-3,6,14H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide?
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide has a molecular weight of 242.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 115158683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).