(3-aminocyclobutyl)-(4-chlorophenyl)methanone

C11H12ClNO — CID 116917659

IUPAC(3-aminocyclobutyl)-(4-chlorophenyl)methanone
SMILESNC1CC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClNO/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)6-8/h1-4,8,10H,5-6,13H2
InChIKeySGFOMLJYXLOOBX-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.26
Rot. Bonds2

About (3-aminocyclobutyl)-(4-chlorophenyl)methanone

(3-aminocyclobutyl)-(4-chlorophenyl)methanone (PubChem CID 116917659) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(4-chlorophenyl)methanone
PubChem CID116917659
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(3-aminocyclobutyl)-(4-chlorophenyl)methanone
SMILESNC1CC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClNO/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)6-8/h1-4,8,10H,5-6,13H2
InChIKeySGFOMLJYXLOOBX-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
CID 116917790
3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 57168194
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120987051
4-[[4-(4-chlorobenzoyl)cyclohexyl]methyl]benzoic acid
CID 91380775
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile
CID 58392266
(4-chlorophenyl)-(2,2-dimethyl-1-oxaspiro[2.5]octan-6-yl)methanone
CID 138966693
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(4-chlorophenyl)methanone (CID 116917659) is (3-aminocyclobutyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(4-chlorophenyl)methanone is NC1CC(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3-aminocyclobutyl)-(4-chlorophenyl)methanone?
The InChIKey is SGFOMLJYXLOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)6-8/h1-4,8,10H,5-6,13H2.
What are the key properties of (3-aminocyclobutyl)-(4-chlorophenyl)methanone?
(3-aminocyclobutyl)-(4-chlorophenyl)methanone has a molecular weight of 209.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 116917659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).