N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide

C16H23BrN2O2 — CID 118139306

IUPACN-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
SMILESCc1cc(Br)ccc1CNC(=O)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H23BrN2O2/c1-11-7-13(17)6-5-12(11)8-18-15(20)19-9-14(10-19)21-16(2,3)4/h5-7,14H,8-10H2,1-4H3,(H,18,20)
InChIKeyCIOLIVPBPZMLEN-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide

N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide (PubChem CID 118139306) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
PubChem CID118139306
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
SMILESCc1cc(Br)ccc1CNC(=O)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H23BrN2O2/c1-11-7-13(17)6-5-12(11)8-18-15(20)19-9-14(10-19)21-16(2,3)4/h5-7,14H,8-10H2,1-4H3,(H,18,20)
InChIKeyCIOLIVPBPZMLEN-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide (CID 118139306) is N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide is Cc1cc(Br)ccc1CNC(=O)N1CC(OC(C)(C)C)C1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
The InChIKey is CIOLIVPBPZMLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11-7-13(17)6-5-12(11)8-18-15(20)19-9-14(10-19)21-16(2,3)4/h5-7,14H,8-10H2,1-4H3,(H,18,20).
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide?
N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 118139306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).