3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide

C18H18BrFN2O2 — CID 136555038

IUPAC3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)ccc1F
InChIInChI=1S/C18H18BrFN2O2/c1-24-17-9-14(6-7-16(17)20)21-18(23)22-10-12(11-22)8-13-4-2-3-5-15(13)19/h2-7,9,12H,8,10-11H2,1H3,(H,21,23)
InChIKeyUPOWSWWSDMBDFE-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.30
Rot. Bonds4

About 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide

3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 136555038) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID136555038
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)ccc1F
InChIInChI=1S/C18H18BrFN2O2/c1-24-17-9-14(6-7-16(17)20)21-18(23)22-10-12(11-22)8-13-4-2-3-5-15(13)19/h2-7,9,12H,8,10-11H2,1H3,(H,21,23)
InChIKeyUPOWSWWSDMBDFE-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
3-[(2-bromophenyl)methyl]-N-(3-cyclopropyl-1-methylpyrazol-4-yl)azetidine-1-carboxamide
CID 136555091
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 71982759
4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057643
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
CID 97284024
1-[(3-bromo-4-fluorophenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 104780124
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide (CID 136555038) is 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(Cc3ccccc3Br)C2)ccc1F.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is UPOWSWWSDMBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-24-17-9-14(6-7-16(17)20)21-18(23)22-10-12(11-22)8-13-4-2-3-5-15(13)19/h2-7,9,12H,8,10-11H2,1H3,(H,21,23).
What are the key properties of 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide?
3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-N-(4-fluoro-3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 136555038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).