N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide

C26H30FNO — CID 134245609

IUPACN-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccc(C3CCC(CC/C=C/C)CC3)cc2)cc1F
InChIInChI=1S/C26H30FNO/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-25(24(27)18-23)28-26(29)4-2/h3-5,12-20H,2,6-11H2,1H3,(H,28,29)/b5-3+
InChIKeyWZNVMKNSRKBBEF-HWKANZROSA-N
MW391.53 g/mol
LogP7.25
Rot. Bonds7

About N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide

N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide (PubChem CID 134245609) has the molecular formula C26H30FNO and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide
PubChem CID134245609
Molecular FormulaC26H30FNO
Molecular Weight391.53 g/mol
Exact Mass391.23
IUPAC NameN-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccc(C3CCC(CC/C=C/C)CC3)cc2)cc1F
InChIInChI=1S/C26H30FNO/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-25(24(27)18-23)28-26(29)4-2/h3-5,12-20H,2,6-11H2,1H3,(H,28,29)/b5-3+
InChIKeyWZNVMKNSRKBBEF-HWKANZROSA-N
XLogP7.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
2-[4-(3,4-difluorophenyl)phenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867612
2-[4-(3-fluoro-4-methylphenyl)phenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868155
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-2-methylbenzene
CID 70950773
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
CID 139749267

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide (CID 134245609) is N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2ccc(C3CCC(CC/C=C/C)CC3)cc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide?
The InChIKey is WZNVMKNSRKBBEF-HWKANZROSA-N. The full InChI is InChI=1S/C26H30FNO/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-25(24(27)18-23)28-26(29)4-2/h3-5,12-20H,2,6-11H2,1H3,(H,28,29)/b5-3+.
What are the key properties of N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide?
N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide has a molecular weight of 391.53 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 134245609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).