2-chloro-4-(cyclobutanecarbonyl)benzonitrile

C12H10ClNO — CID 138109981

IUPAC2-chloro-4-(cyclobutanecarbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)C2CCC2)cc1Cl
InChIInChI=1S/C12H10ClNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyFLBIHVXZZMARMV-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-4-(cyclobutanecarbonyl)benzonitrile

2-chloro-4-(cyclobutanecarbonyl)benzonitrile (PubChem CID 138109981) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-chloro-4-(cyclobutanecarbonyl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(cyclobutanecarbonyl)benzonitrile
PubChem CID138109981
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-chloro-4-(cyclobutanecarbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)C2CCC2)cc1Cl
InChIInChI=1S/C12H10ClNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyFLBIHVXZZMARMV-UHFFFAOYSA-N
XLogP3.19
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
4-(cyclobutanecarbonyl)-2-fluorobenzonitrile
CID 130136934
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
2-chloro-4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 55914969
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclobutanecarbonyl)benzonitrile?
The IUPAC name of 2-chloro-4-(cyclobutanecarbonyl)benzonitrile (CID 138109981) is 2-chloro-4-(cyclobutanecarbonyl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(cyclobutanecarbonyl)benzonitrile?
The canonical SMILES for 2-chloro-4-(cyclobutanecarbonyl)benzonitrile is N#Cc1ccc(C(=O)C2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(cyclobutanecarbonyl)benzonitrile?
The InChIKey is FLBIHVXZZMARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 2-chloro-4-(cyclobutanecarbonyl)benzonitrile?
2-chloro-4-(cyclobutanecarbonyl)benzonitrile has a molecular weight of 219.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclobutanecarbonyl)benzonitrile is sourced from PubChem (CID 138109981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).