N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide

C15H17F4NO3 — CID 126826185

IUPACN-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOC1(OC)CCCCC1NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H17F4NO3/c1-22-15(23-2)6-4-3-5-10(15)20-14(21)8-7-9(16)12(18)13(19)11(8)17/h7,10H,3-6H2,1-2H3,(H,20,21)
InChIKeyPPNMNKKEPWPMQQ-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.90
Rot. Bonds4

About N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide

N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide (PubChem CID 126826185) has the molecular formula C15H17F4NO3 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide
PubChem CID126826185
Molecular FormulaC15H17F4NO3
Molecular Weight335.30 g/mol
Exact Mass335.11
IUPAC NameN-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOC1(OC)CCCCC1NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H17F4NO3/c1-22-15(23-2)6-4-3-5-10(15)20-14(21)8-7-9(16)12(18)13(19)11(8)17/h7,10H,3-6H2,1-2H3,(H,20,21)
InChIKeyPPNMNKKEPWPMQQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethoxycyclohexyl)acetamide
CID 130011755
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525
N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
CID 166315439
N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
CID 79870125
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 129446532
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 79872681
N-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
2-[(4-chloro-2,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82772593

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide (CID 126826185) is N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide is COC1(OC)CCCCC1NC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide?
The InChIKey is PPNMNKKEPWPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO3/c1-22-15(23-2)6-4-3-5-10(15)20-14(21)8-7-9(16)12(18)13(19)11(8)17/h7,10H,3-6H2,1-2H3,(H,20,21).
What are the key properties of N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide?
N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide has a molecular weight of 335.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxycyclohexyl)-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 126826185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).