2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide

C17H23ClN2O — CID 9016314

IUPAC2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(2)13-9-8-12(3)10-16(13)19-20-17(21)14-6-4-5-7-15(14)18/h4-7,11-13H,8-10H2,1-3H3,(H,20,21)/b19-16-/t12-,13+/m1/s1
InChIKeyHHLMJOHNUBXAEV-CSYCWZJQSA-N
MW306.84 g/mol
LogP4.52
Rot. Bonds3

About 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide

2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide (PubChem CID 9016314) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
PubChem CID9016314
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(2)13-9-8-12(3)10-16(13)19-20-17(21)14-6-4-5-7-15(14)18/h4-7,11-13H,8-10H2,1-3H3,(H,20,21)/b19-16-/t12-,13+/m1/s1
InChIKeyHHLMJOHNUBXAEV-CSYCWZJQSA-N
XLogP4.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
4-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9060236
3-chloro-N-[(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174948
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]pyridine-3-carboxamide
CID 9059884
N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465123
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061050
2-cyano-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]acetamide
CID 7188891
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide
CID 7939655
2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]-2-(2-oxoazepan-1-yl)acetamide
CID 71903240
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide (CID 9016314) is 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide is CC(C)[C@@H]1CC[C@@H](C)C/C1=N/NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The InChIKey is HHLMJOHNUBXAEV-CSYCWZJQSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(2)13-9-8-12(3)10-16(13)19-20-17(21)14-6-4-5-7-15(14)18/h4-7,11-13H,8-10H2,1-3H3,(H,20,21)/b19-16-/t12-,13+/m1/s1.
What are the key properties of 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide has a molecular weight of 306.84 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 9016314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).