(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone

C12H16ClN3O — CID 172646832

IUPAC(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C12H16ClN3O/c1-15(2)9-6-16(7-9)12(17)8-3-4-11(14)10(13)5-8/h3-5,9H,6-7,14H2,1-2H3
InChIKeyLPWNKXJWXLNACJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.31
Rot. Bonds2

About (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone

(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone (PubChem CID 172646832) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
PubChem CID172646832
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C12H16ClN3O/c1-15(2)9-6-16(7-9)12(17)8-3-4-11(14)10(13)5-8/h3-5,9H,6-7,14H2,1-2H3
InChIKeyLPWNKXJWXLNACJ-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
[3-(dimethylamino)azetidin-1-yl]-(4-iodo-3-methylphenyl)methanone
CID 172646765
(3S,6R)-1-(3-chloro-4-methylbenzoyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 170504472
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
CID 103209522
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone (CID 172646832) is (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone is CN(C)C1CN(C(=O)c2ccc(N)c(Cl)c2)C1.
What is the InChIKey of (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The InChIKey is LPWNKXJWXLNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-15(2)9-6-16(7-9)12(17)8-3-4-11(14)10(13)5-8/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 172646832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).