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

C17H23ClN2O — CID 9174950

IUPAC3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
SMILESCC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O/c1-11(2)15-8-7-12(3)9-16(15)19-20-17(21)13-5-4-6-14(18)10-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/b19-16-/t12-,15-/m0/s1
InChIKeyZPXPTDGMARKWMW-ZXCHJEISSA-N
MW306.84 g/mol
LogP4.52
Rot. Bonds3

About 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide

3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide (PubChem CID 9174950) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
PubChem CID9174950
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
SMILESCC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O/c1-11(2)15-8-7-12(3)9-16(15)19-20-17(21)13-5-4-6-14(18)10-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/b19-16-/t12-,15-/m0/s1
InChIKeyZPXPTDGMARKWMW-ZXCHJEISSA-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

3-chloro-N-[(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174948
2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016314
2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N-[[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465886
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
2-cyano-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]acetamide
CID 7188891
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465123

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide (CID 9174950) is 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide is CC(C)[C@@H]1CC[C@H](C)C/C1=N/NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
The InChIKey is ZPXPTDGMARKWMW-ZXCHJEISSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(2)15-8-7-12(3)9-16(15)19-20-17(21)13-5-4-6-14(18)10-13/h4-6,10-12,15H,7-9H2,1-3H3,(H,20,21)/b19-16-/t12-,15-/m0/s1.
What are the key properties of 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide?
3-chloro-N-[(Z)-[(2S,5S)-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 3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 9174950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).