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

C14H17ClN2O — CID 7722671

IUPAC3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-10-5-2-3-8-13(10)16-17-14(18)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)/b16-13-/t10-/m0/s1
InChIKeyMQELWRYTRZUKHG-VQZCRYCJSA-N
MW264.76 g/mol
LogP3.64
Rot. Bonds2

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

3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide (PubChem CID 7722671) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
PubChem CID7722671
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-10-5-2-3-8-13(10)16-17-14(18)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)/b16-13-/t10-/m0/s1
InChIKeyMQELWRYTRZUKHG-VQZCRYCJSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.64
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-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
CID 9060978
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174950
3-chloro-N-[(Z)-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174948
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
CID 9464639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide (CID 7722671) is 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide is C[C@H]1CCCC/C1=N/NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The InChIKey is MQELWRYTRZUKHG-VQZCRYCJSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10-5-2-3-8-13(10)16-17-14(18)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)/b16-13-/t10-/m0/s1.
What are the key properties of 3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide has a molecular weight of 264.76 g/mol, XLogP of 3.64, 2 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)-2-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 7722671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).