2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide

C15H21BrN2O — CID 116675405

IUPAC2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)C1CNC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-3-14(11-4-6-13(16)7-5-11)18-15(19)10(2)12-8-17-9-12/h4-7,10,12,14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBZFNXIPXYCOTJO-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.87
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide

2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide (PubChem CID 116675405) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
PubChem CID116675405
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)C1CNC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-3-14(11-4-6-13(16)7-5-11)18-15(19)10(2)12-8-17-9-12/h4-7,10,12,14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBZFNXIPXYCOTJO-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705008
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
CID 116675274
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide (CID 116675405) is 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide is CCC(NC(=O)C(C)C1CNC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide?
The InChIKey is BZFNXIPXYCOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-14(11-4-6-13(16)7-5-11)18-15(19)10(2)12-8-17-9-12/h4-7,10,12,14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide?
2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide has a molecular weight of 325.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide is sourced from PubChem (CID 116675405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).