N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide

C34H32F3NO — CID 134245599

IUPACN-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3F)cc2F)c(F)c1
InChIInChI=1S/C34H32F3NO/c1-3-5-6-7-23-8-11-25(12-9-23)26-13-16-28(32(36)21-26)27-14-17-30(33(37)22-27)29-15-10-24(20-31(29)35)18-19-38-34(39)4-2/h4,8-17,20-22H,2-3,5-7,18-19H2,1H3,(H,38,39)
InChIKeyNXOJDVLGCRGRNR-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.68
Rot. Bonds11

About N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide

N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide (PubChem CID 134245599) has the molecular formula C34H32F3NO and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide
PubChem CID134245599
Molecular FormulaC34H32F3NO
Molecular Weight527.63 g/mol
Exact Mass527.24
IUPAC NameN-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3F)cc2F)c(F)c1
InChIInChI=1S/C34H32F3NO/c1-3-5-6-7-23-8-11-25(12-9-23)26-13-16-28(32(36)21-26)27-14-17-30(33(37)22-27)29-15-10-24(20-31(29)35)18-19-38-34(39)4-2/h4,8-17,20-22H,2-3,5-7,18-19H2,1H3,(H,38,39)
InChIKeyNXOJDVLGCRGRNR-UHFFFAOYSA-N
XLogP8.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]-2-methylidenebutan-1-ol
CID 139457380
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide
CID 134244287
N-[4-[2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]phenyl]prop-2-enamide
CID 135214904
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
2-[2-(3-aminopropyl)-5-[2-fluoro-4-(4-pentylphenyl)phenyl]phenoxy]ethyl prop-2-enoate
CID 134193541
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide (CID 134245599) is N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide is C=CC(=O)NCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cc4)cc3F)cc2F)c(F)c1.
What is the InChIKey of N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide?
The InChIKey is NXOJDVLGCRGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3NO/c1-3-5-6-7-23-8-11-25(12-9-23)26-13-16-28(32(36)21-26)27-14-17-30(33(37)22-27)29-15-10-24(20-31(29)35)18-19-38-34(39)4-2/h4,8-17,20-22H,2-3,5-7,18-19H2,1H3,(H,38,39).
What are the key properties of N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide?
N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide has a molecular weight of 527.63 g/mol, XLogP of 8.68, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 134245599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).