(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone

C10H9ClN4O — CID 121200452

IUPAC(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone
SMILES[N-]=[N+]=NC1CN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C10H9ClN4O/c11-9-4-2-1-3-8(9)10(16)15-5-7(6-15)13-14-12/h1-4,7H,5-6H2
InChIKeySSWTZNKQOQIKKU-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.47
Rot. Bonds2

About (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone

(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone (PubChem CID 121200452) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone
PubChem CID121200452
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone
SMILES[N-]=[N+]=NC1CN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C10H9ClN4O/c11-9-4-2-1-3-8(9)10(16)15-5-7(6-15)13-14-12/h1-4,7H,5-6H2
InChIKeySSWTZNKQOQIKKU-UHFFFAOYSA-N
XLogP2.47
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 125129733
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
CID 71809328
(E)-1-(3-azidoazetidin-1-yl)-3-phenylprop-2-en-1-one
CID 121200458
(2-chlorophenyl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164417
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone (CID 121200452) is (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone is [N-]=[N+]=NC1CN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone?
The InChIKey is SSWTZNKQOQIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-4-2-1-3-8(9)10(16)15-5-7(6-15)13-14-12/h1-4,7H,5-6H2.
What are the key properties of (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone?
(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone has a molecular weight of 236.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 121200452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).