2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide

C16H21Cl2NO — CID 673817

IUPAC2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
SMILESC[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C16H21Cl2NO/c1-10-6-12(9-16(2,3)8-10)19-15(20)13-5-4-11(17)7-14(13)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyYHYOZFKTRSUULA-PWSUYJOCSA-N
MW314.26 g/mol
LogP4.94
Rot. Bonds2

About 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide

2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide (PubChem CID 673817) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
PubChem CID673817
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
SMILESC[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C16H21Cl2NO/c1-10-6-12(9-16(2,3)8-10)19-15(20)13-5-4-11(17)7-14(13)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyYHYOZFKTRSUULA-PWSUYJOCSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide (CID 673817) is 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide is C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1.
What is the InChIKey of 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide?
The InChIKey is YHYOZFKTRSUULA-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-10-6-12(9-16(2,3)8-10)19-15(20)13-5-4-11(17)7-14(13)18/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide?
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide has a molecular weight of 314.26 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide is sourced from PubChem (CID 673817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).