5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide

C14H17ClN2O2 — CID 4626462

IUPAC5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCC1CCCC(=NNC(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H17ClN2O2/c1-9-3-2-4-11(7-9)16-17-14(19)12-8-10(15)5-6-13(12)18/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyDNYVPHRSQRTDJL-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.34
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide

5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide (PubChem CID 4626462) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
PubChem CID4626462
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCC1CCCC(=NNC(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H17ClN2O2/c1-9-3-2-4-11(7-9)16-17-14(19)12-8-10(15)5-6-13(12)18/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyDNYVPHRSQRTDJL-UHFFFAOYSA-N
XLogP3.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
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-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 7858354
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 8978693
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide (CID 4626462) is 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide is CC1CCCC(=NNC(=O)c2cc(Cl)ccc2O)C1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide?
The InChIKey is DNYVPHRSQRTDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-3-2-4-11(7-9)16-17-14(19)12-8-10(15)5-6-13(12)18/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide?
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide has a molecular weight of 280.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 4626462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).