(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone

C10H10ClIN2O — CID 103209522

IUPAC(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
SMILESNC1CN(C(=O)c2ccc(I)c(Cl)c2)C1
InChIInChI=1S/C10H10ClIN2O/c11-8-3-6(1-2-9(8)12)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2
InChIKeyIDZNRKQQJJEPLH-UHFFFAOYSA-N
MW336.56 g/mol
LogP1.73
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone

(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone (PubChem CID 103209522) has the molecular formula C10H10ClIN2O and a molecular weight of 336.56 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
PubChem CID103209522
Molecular FormulaC10H10ClIN2O
Molecular Weight336.56 g/mol
Exact Mass335.95
IUPAC Name(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
SMILESNC1CN(C(=O)c2ccc(I)c(Cl)c2)C1
InChIInChI=1S/C10H10ClIN2O/c11-8-3-6(1-2-9(8)12)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2
InChIKeyIDZNRKQQJJEPLH-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-chloro-4-iodophenyl)methanone;hydrochloride
CID 120656296
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103209579
[4-(2-aminoethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 103209483
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 171678646
(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114
3-[1-(3-chloro-4-iodobenzoyl)piperidin-3-yl]propanoic acid
CID 103219048
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
(3-chloro-4-iodophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 103805724
(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103734767

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone (CID 103209522) is (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone is NC1CN(C(=O)c2ccc(I)c(Cl)c2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone?
The InChIKey is IDZNRKQQJJEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O/c11-8-3-6(1-2-9(8)12)10(15)14-4-7(13)5-14/h1-3,7H,4-5,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone?
(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone has a molecular weight of 336.56 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone is sourced from PubChem (CID 103209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).