2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide

C15H22FN3O — CID 64618160

IUPAC2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)CC2CNC2)cc1F
InChIInChI=1S/C15H22FN3O/c1-10(2)19(3)14-5-4-12(7-13(14)16)18-15(20)6-11-8-17-9-11/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,18,20)
InChIKeyRBRMEWVOKAYSGD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.22
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide

2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 64618160) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID64618160
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)CC2CNC2)cc1F
InChIInChI=1S/C15H22FN3O/c1-10(2)19(3)14-5-4-12(7-13(14)16)18-15(20)6-11-8-17-9-11/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,18,20)
InChIKeyRBRMEWVOKAYSGD-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94094576
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43701547
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide (CID 64618160) is 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide is CC(C)N(C)c1ccc(NC(=O)CC2CNC2)cc1F.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is RBRMEWVOKAYSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)19(3)14-5-4-12(7-13(14)16)18-15(20)6-11-8-17-9-11/h4-5,7,10-11,17H,6,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide?
2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 64618160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).