N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide

C18H19BrN2O — CID 95785992

IUPACN-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-13-11-21(18(13)14-7-3-2-4-8-14)12-17(22)20-16-10-6-5-9-15(16)19/h2-10,13,18H,11-12H2,1H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyZILRSSYPLXJXMK-UGSOOPFHSA-N
MW359.27 g/mol
LogP4.08
Rot. Bonds4

About N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide

N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide (PubChem CID 95785992) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
PubChem CID95785992
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-13-11-21(18(13)14-7-3-2-4-8-14)12-17(22)20-16-10-6-5-9-15(16)19/h2-10,13,18H,11-12H2,1H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyZILRSSYPLXJXMK-UGSOOPFHSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 96569500
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide
CID 64978706
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
N-(2-bromophenyl)-2-(4-hydroxy-1,2-oxazolidin-2-yl)acetamide
CID 112737177
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide (CID 95785992) is N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide?
The InChIKey is ZILRSSYPLXJXMK-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13-11-21(18(13)14-7-3-2-4-8-14)12-17(22)20-16-10-6-5-9-15(16)19/h2-10,13,18H,11-12H2,1H3,(H,20,22)/t13-,18-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide has a molecular weight of 359.27 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide is sourced from PubChem (CID 95785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).