4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide

C22H24ClN3O2 — CID 4047404

IUPAC4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15(25-26-22(28)18-7-11-19(23)12-8-18)16-9-13-20(14-10-16)24-21(27)17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,24,27)(H,26,28)
InChIKeyIIVQDQUQEAEJTN-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.01
Rot. Bonds5

About 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide

4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide (PubChem CID 4047404) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
PubChem CID4047404
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15(25-26-22(28)18-7-11-19(23)12-8-18)16-9-13-20(14-10-16)24-21(27)17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,24,27)(H,26,28)
InChIKeyIIVQDQUQEAEJTN-UHFFFAOYSA-N
XLogP5.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.01
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

1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide (CID 4047404) is 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The InChIKey is IIVQDQUQEAEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15(25-26-22(28)18-7-11-19(23)12-8-18)16-9-13-20(14-10-16)24-21(27)17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide has a molecular weight of 397.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 4047404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).