1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone

C12H14ClNO — CID 65458104

IUPAC1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
SMILESNc1cc(Cl)ccc1C(=O)CC1CCC1
InChIInChI=1S/C12H14ClNO/c13-9-4-5-10(11(14)7-9)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2
InChIKeyVTXXKQXNQRMWHO-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone

1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone (PubChem CID 65458104) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
PubChem CID65458104
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
SMILESNc1cc(Cl)ccc1C(=O)CC1CCC1
InChIInChI=1S/C12H14ClNO/c13-9-4-5-10(11(14)7-9)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2
InChIKeyVTXXKQXNQRMWHO-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone 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

1-(2-amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
CID 103167069
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
1-(3-amino-5-chlorophenyl)-2-cyclobutylethanone
CID 116597330
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-4-chlorophenyl)methanone
CID 115558668
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 103162435

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone (CID 65458104) is 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone is Nc1cc(Cl)ccc1C(=O)CC1CCC1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone?
The InChIKey is VTXXKQXNQRMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-9-4-5-10(11(14)7-9)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone?
1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone has a molecular weight of 223.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone is sourced from PubChem (CID 65458104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).