5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide

C23H26ClN3O3 — CID 3362887

IUPAC5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(26-27-23(29)20-14-18(24)11-12-21(20)30-2)17-9-6-10-19(13-17)25-22(28)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyHPMUBKIVYMFBRN-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.02
Rot. Bonds6

About 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide

5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide (PubChem CID 3362887) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
PubChem CID3362887
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(26-27-23(29)20-14-18(24)11-12-21(20)30-2)17-9-6-10-19(13-17)25-22(28)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyHPMUBKIVYMFBRN-UHFFFAOYSA-N
XLogP5.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6011924
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[(3-acetylphenyl)carbamothioyl]-5-chloro-2-methoxybenzamide
CID 1227606
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide (CID 3362887) is 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=C(C)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The InChIKey is HPMUBKIVYMFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15(26-27-23(29)20-14-18(24)11-12-21(20)30-2)17-9-6-10-19(13-17)25-22(28)16-7-4-3-5-8-16/h6,9-14,16H,3-5,7-8H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide has a molecular weight of 427.93 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 3362887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).