N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide

C22H24FN3O2 — CID 6026889

IUPACN-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-15(25-26-22(28)17-10-12-19(23)13-11-17)18-8-5-9-20(14-18)24-21(27)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyWBHUPPWBYKMZGX-MYYYXRDXSA-N
MW381.45 g/mol
LogP4.50
Rot. Bonds5

About N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide

N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide (PubChem CID 6026889) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
PubChem CID6026889
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H24FN3O2/c1-15(25-26-22(28)17-10-12-19(23)13-11-17)18-8-5-9-20(14-18)24-21(27)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyWBHUPPWBYKMZGX-MYYYXRDXSA-N
XLogP4.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.50
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

N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide (CID 6026889) is N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide is C/C(=N/NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide?
The InChIKey is WBHUPPWBYKMZGX-MYYYXRDXSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15(25-26-22(28)17-10-12-19(23)13-11-17)18-8-5-9-20(14-18)24-21(27)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,24,27)(H,26,28)/b25-15-.
What are the key properties of N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide?
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide has a molecular weight of 381.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6026889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).