1-[(4-bromophenyl)methyl]azetidine-2-carboxamide

C11H13BrN2O — CID 74961282

IUPAC1-[(4-bromophenyl)methyl]azetidine-2-carboxamide
SMILESNC(=O)C1CCN1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c12-9-3-1-8(2-4-9)7-14-6-5-10(14)11(13)15/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyQTCFBUYEOHRNQE-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.51
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide

1-[(4-bromophenyl)methyl]azetidine-2-carboxamide (PubChem CID 74961282) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]azetidine-2-carboxamide
PubChem CID74961282
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-[(4-bromophenyl)methyl]azetidine-2-carboxamide
SMILESNC(=O)C1CCN1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c12-9-3-1-8(2-4-9)7-14-6-5-10(14)11(13)15/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyQTCFBUYEOHRNQE-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
CID 175607279
1-[(4-bromo-3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 113335252
(2S)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70742179

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide (CID 74961282) is 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide is NC(=O)C1CCN1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide?
The InChIKey is QTCFBUYEOHRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-3-1-8(2-4-9)7-14-6-5-10(14)11(13)15/h1-4,10H,5-7H2,(H2,13,15).
What are the key properties of 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide?
1-[(4-bromophenyl)methyl]azetidine-2-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 74961282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).