N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide

C13H14ClF2NO — CID 82818366

IUPACN-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(Cl)C2CC2)c1F
InChIInChI=1S/C13H14ClF2NO/c1-7-2-5-10(15)11(12(7)16)13(18)17-6-9(14)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3,(H,17,18)
InChIKeyLMQBBVFFPBLYJY-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.02
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide

N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82818366) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82818366
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(Cl)C2CC2)c1F
InChIInChI=1S/C13H14ClF2NO/c1-7-2-5-10(15)11(12(7)16)13(18)17-6-9(14)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3,(H,17,18)
InChIKeyLMQBBVFFPBLYJY-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
3-bromo-N-(2-chloro-2-cyclopropylethyl)-2-fluorobenzamide
CID 107956692
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 106690017
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 114305111

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide (CID 82818366) is N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCC(Cl)C2CC2)c1F.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is LMQBBVFFPBLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c1-7-2-5-10(15)11(12(7)16)13(18)17-6-9(14)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide?
N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 273.71 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).