N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide

C17H16BrFN2O — CID 95786078

IUPACN-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC[C@H]1c1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O/c18-12-5-7-13(8-6-12)20-17(22)11-21-10-9-16(21)14-3-1-2-4-15(14)19/h1-8,16H,9-11H2,(H,20,22)/t16-/m0/s1
InChIKeyHBYPFLJCRPGRFE-INIZCTEOSA-N
MW363.23 g/mol
LogP3.97
Rot. Bonds4

About N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide

N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide (PubChem CID 95786078) has the molecular formula C17H16BrFN2O and a molecular weight of 363.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide
PubChem CID95786078
Molecular FormulaC17H16BrFN2O
Molecular Weight363.23 g/mol
Exact Mass362.04
IUPAC NameN-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC[C@H]1c1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O/c18-12-5-7-13(8-6-12)20-17(22)11-21-10-9-16(21)14-3-1-2-4-15(14)19/h1-8,16H,9-11H2,(H,20,22)/t16-/m0/s1
InChIKeyHBYPFLJCRPGRFE-INIZCTEOSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785737
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
N-(4-bromophenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 97078137
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide
CID 124754680
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide (CID 95786078) is N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide is O=C(CN1CC[C@H]1c1ccccc1F)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide?
The InChIKey is HBYPFLJCRPGRFE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16BrFN2O/c18-12-5-7-13(8-6-12)20-17(22)11-21-10-9-16(21)14-3-1-2-4-15(14)19/h1-8,16H,9-11H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide has a molecular weight of 363.23 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide is sourced from PubChem (CID 95786078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).