N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide

C17H18FN3O — CID 23140545

IUPACN-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
SMILESCN(c1ccccc1)C1CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3O/c1-20(15-8-3-2-4-9-15)16-11-21(12-16)17(22)19-14-7-5-6-13(18)10-14/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyJBKKOVIOWJPSFI-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.18
Rot. Bonds3

About N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide

N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide (PubChem CID 23140545) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
PubChem CID23140545
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
SMILESCN(c1ccccc1)C1CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3O/c1-20(15-8-3-2-4-9-15)16-11-21(12-16)17(22)19-14-7-5-6-13(18)10-14/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyJBKKOVIOWJPSFI-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(N-methylanilino)pyrrolidine-1-carboxamide
CID 146081899
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
CID 102938478
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
CID 23139887

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide (CID 23140545) is N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide is CN(c1ccccc1)C1CN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide?
The InChIKey is JBKKOVIOWJPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-20(15-8-3-2-4-9-15)16-11-21(12-16)17(22)19-14-7-5-6-13(18)10-14/h2-10,16H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide?
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide is sourced from PubChem (CID 23140545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).