5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C17H23ClFNO — CID 103966065

IUPAC5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(Cl)ccc2F)CC(C)(C)C1
InChIInChI=1S/C17H23ClFNO/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)13-7-11(18)5-6-14(13)19/h5-7,12H,8-10H2,1-4H3,(H,20,21)
InChIKeyMXFKYWGWJXQAJJ-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 103966065) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID103966065
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(Cl)ccc2F)CC(C)(C)C1
InChIInChI=1S/C17H23ClFNO/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)13-7-11(18)5-6-14(13)19/h5-7,12H,8-10H2,1-4H3,(H,20,21)
InChIKeyMXFKYWGWJXQAJJ-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 103966065) is 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(NC(=O)c2cc(Cl)ccc2F)CC(C)(C)C1.
What is the InChIKey of 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is MXFKYWGWJXQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-16(2)8-12(9-17(3,4)10-16)20-15(21)13-7-11(18)5-6-14(13)19/h5-7,12H,8-10H2,1-4H3,(H,20,21).
What are the key properties of 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 311.83 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 103966065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).