5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide

C12H13ClFNO — CID 61217679

IUPAC5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
SMILESCC1(C)CC1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c1-12(2)6-10(12)15-11(16)8-5-7(13)3-4-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKeyZHZPPSMNZULFID-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide

5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide (PubChem CID 61217679) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
PubChem CID61217679
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
SMILESCC1(C)CC1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c1-12(2)6-10(12)15-11(16)8-5-7(13)3-4-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKeyZHZPPSMNZULFID-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
CID 55047042
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
CID 65387287
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
CID 112575815
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide (CID 61217679) is 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide is CC1(C)CC1NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide?
The InChIKey is ZHZPPSMNZULFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-12(2)6-10(12)15-11(16)8-5-7(13)3-4-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide?
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide has a molecular weight of 241.69 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide is sourced from PubChem (CID 61217679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).