5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide

C17H23ClFNO — CID 63483142

IUPAC5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C17H23ClFNO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-9-12(18)5-7-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyHCMFIQRWUHDFJX-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide

5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide (PubChem CID 63483142) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
PubChem CID63483142
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C17H23ClFNO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-9-12(18)5-7-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyHCMFIQRWUHDFJX-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
CID 107033555
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide (CID 63483142) is 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide is CC1CCC(C(C)C)C(NC(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The InChIKey is HCMFIQRWUHDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-9-12(18)5-7-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide has a molecular weight of 311.83 g/mol, XLogP of 4.67, 3 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-(5-methyl-2-propan-2-ylcyclohexyl)benzamide is sourced from PubChem (CID 63483142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).