4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide

C14H18F2N2O — CID 114540712

IUPAC4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c1-14(2)4-3-9(7-14)18-13(19)8-5-10(15)12(17)11(16)6-8/h5-6,9H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyLTUKYZFMKDANGS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide

4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide (PubChem CID 114540712) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
PubChem CID114540712
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c1-14(2)4-3-9(7-14)18-13(19)8-5-10(15)12(17)11(16)6-8/h5-6,9H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyLTUKYZFMKDANGS-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356989
4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 79872681
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
CID 113345728
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide (CID 114540712) is 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide is CC1(C)CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1.
What is the InChIKey of 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide?
The InChIKey is LTUKYZFMKDANGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(2)4-3-9(7-14)18-13(19)8-5-10(15)12(17)11(16)6-8/h5-6,9H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide?
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide is sourced from PubChem (CID 114540712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).