2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide

C14H20BrN3O — CID 66183880

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1Br)C1CNC1
InChIInChI=1S/C14H20BrN3O/c1-3-18(11-7-16-8-11)9-14(19)17-13-5-4-10(2)6-12(13)15/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyLRBVCVDUYOBBGT-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.99
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 66183880) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID66183880
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1Br)C1CNC1
InChIInChI=1S/C14H20BrN3O/c1-3-18(11-7-16-8-11)9-14(19)17-13-5-4-10(2)6-12(13)15/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyLRBVCVDUYOBBGT-UHFFFAOYSA-N
XLogP1.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 113159569
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide (CID 66183880) is 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1Br)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is LRBVCVDUYOBBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-18(11-7-16-8-11)9-14(19)17-13-5-4-10(2)6-12(13)15/h4-6,11,16H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 326.24 g/mol, XLogP of 1.99, 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(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 66183880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).