acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide

C13H17FN2O3 — CID 171708337

IUPACacetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)O.NC(=O)C1(Cc2ccccc2F)CNC1
InChIInChI=1S/C11H13FN2O.C2H4O2/c12-9-4-2-1-3-8(9)5-11(10(13)15)6-14-7-11;1-2(3)4/h1-4,14H,5-7H2,(H2,13,15);1H3,(H,3,4)
InChIKeyNZNZAOCBMUIDIM-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.53
Rot. Bonds3

About acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide

acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide (PubChem CID 171708337) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Nameacetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide
PubChem CID171708337
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nameacetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)O.NC(=O)C1(Cc2ccccc2F)CNC1
InChIInChI=1S/C11H13FN2O.C2H4O2/c12-9-4-2-1-3-8(9)5-11(10(13)15)6-14-7-11;1-2(3)4/h1-4,14H,5-7H2,(H2,13,15);1H3,(H,3,4)
InChIKeyNZNZAOCBMUIDIM-UHFFFAOYSA-N
XLogP0.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114834626
3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide
CID 166615596
3-[(2-fluorophenyl)methyl]oxane-3-carboxylic acid
CID 55149955
1-[(2-fluorophenyl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 112745350
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
CID 110090804
[(3aR,4S,6aS)-4-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[(2-fluorophenyl)methyl]azetidin-3-yl]methanone;dihydrochloride
CID 171325784
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761825
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 166618161
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide (CID 171708337) is acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide is CC(=O)O.NC(=O)C1(Cc2ccccc2F)CNC1.
What is the InChIKey of acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide?
The InChIKey is NZNZAOCBMUIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O.C2H4O2/c12-9-4-2-1-3-8(9)5-11(10(13)15)6-14-7-11;1-2(3)4/h1-4,14H,5-7H2,(H2,13,15);1H3,(H,3,4).
What are the key properties of acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide?
acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[(2-fluorophenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 171708337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).