N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide

C15H21BrN2O2 — CID 118138973

IUPACN-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(Br)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-18(9-14)15(19)17-7-12-4-5-13(16)6-11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19)
InChIKeyCECIHFFAOBIXPN-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.08
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide

N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide (PubChem CID 118138973) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide
PubChem CID118138973
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(Br)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-18(9-14)15(19)17-7-12-4-5-13(16)6-11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19)
InChIKeyCECIHFFAOBIXPN-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide (CID 118138973) is N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide is Cc1cc(Br)ccc1CNC(=O)N1CC(OC(C)C)C1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The InChIKey is CECIHFFAOBIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)20-14-8-18(9-14)15(19)17-7-12-4-5-13(16)6-11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
N-[(4-bromo-2-methylphenyl)methyl]-3-propan-2-yloxyazetidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.08, 4 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-propan-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 118138973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).