5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

C15H19ClN2O2 — CID 27485279

IUPAC5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C1/CCC[C@H](C)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-4-3-5-12(8-10)17-18-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)/b17-12-/t10-/m0/s1
InChIKeyXQOKYUABPGDKSY-JCROAMGPSA-N
MW294.78 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 27485279) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
PubChem CID27485279
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C1/CCC[C@H](C)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-4-3-5-12(8-10)17-18-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)/b17-12-/t10-/m0/s1
InChIKeyXQOKYUABPGDKSY-JCROAMGPSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277
5-chloro-2-methoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 6533231
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
CID 40571457
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 7858460
5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide
CID 4176736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (CID 27485279) is 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is COc1ccc(Cl)cc1C(=O)N/N=C1/CCC[C@H](C)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is XQOKYUABPGDKSY-JCROAMGPSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-4-3-5-12(8-10)17-18-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)/b17-12-/t10-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 294.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 27485279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).