(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide

C17H25FN2O — CID 166071996

IUPAC(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide
SMILESCC[C@@H](CN1CCC1)C(=O)NC(C)(C)c1ccccc1F
InChIInChI=1S/C17H25FN2O/c1-4-13(12-20-10-7-11-20)16(21)19-17(2,3)14-8-5-6-9-15(14)18/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyPOPQBKGEHISCDK-ZDUSSCGKSA-N
MW292.40 g/mol
LogP2.91
Rot. Bonds6

About (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide

(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide (PubChem CID 166071996) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide
PubChem CID166071996
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide
SMILESCC[C@@H](CN1CCC1)C(=O)NC(C)(C)c1ccccc1F
InChIInChI=1S/C17H25FN2O/c1-4-13(12-20-10-7-11-20)16(21)19-17(2,3)14-8-5-6-9-15(14)18/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyPOPQBKGEHISCDK-ZDUSSCGKSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(azetidin-1-yl)-N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 166072160
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
(2R)-3-(azetidin-1-yl)-N-[2-(2-chloro-3-methylphenyl)propan-2-yl]-2-methylpropanamide
CID 166072080
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
N-[2-(2-fluorophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460359
2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95607274
(3S)-3-[2-(2-fluorophenyl)propan-2-ylcarbamoyl]piperidine-1-carboxylic acid
CID 121481769
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
N-[2-(2-fluorophenyl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 110468157
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide?
The IUPAC name of (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide (CID 166071996) is (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide is CC[C@@H](CN1CCC1)C(=O)NC(C)(C)c1ccccc1F.
What is the InChIKey of (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide?
The InChIKey is POPQBKGEHISCDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-13(12-20-10-7-11-20)16(21)19-17(2,3)14-8-5-6-9-15(14)18/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide?
(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide has a molecular weight of 292.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 166071996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).