3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

C17H24ClNO — CID 46887729

IUPAC3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-11(2)15-8-7-12(3)9-16(15)19-17(20)13-5-4-6-14(18)10-13/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
InChIKeyWXODRNGKTKTVGW-UHOFOFEASA-N
MW293.84 g/mol
LogP4.53
Rot. Bonds3

About 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide

3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (PubChem CID 46887729) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
PubChem CID46887729
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-11(2)15-8-7-12(3)9-16(15)19-17(20)13-5-4-6-14(18)10-13/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
InChIKeyWXODRNGKTKTVGW-UHOFOFEASA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Benzamide derivative 8
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide (CID 46887729) is 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
The InChIKey is WXODRNGKTKTVGW-UHOFOFEASA-N. The full InChI is InChI=1S/C17H24ClNO/c1-11(2)15-8-7-12(3)9-16(15)19-17(20)13-5-4-6-14(18)10-13/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide?
3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide has a molecular weight of 293.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 46887729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).