(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide

C24H28F2N2O — CID 11553055

IUPAC(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1c(F)cc(-c2ccc(NC(C)C)cc2)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C24H28F2N2O/c1-15(2)27-20-10-8-17(9-11-20)18-13-22(25)21(23(26)14-18)12-16(3)24(29)28-19-6-4-5-7-19/h8-15,19,27H,4-7H2,1-3H3,(H,28,29)/b16-12+
InChIKeyYAVHMGSHPRPSLS-FOWTUZBSSA-N
MW398.50 g/mol
LogP5.91
Rot. Bonds6

About (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide

(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide (PubChem CID 11553055) has the molecular formula C24H28F2N2O and a molecular weight of 398.50 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide
PubChem CID11553055
Molecular FormulaC24H28F2N2O
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1c(F)cc(-c2ccc(NC(C)C)cc2)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C24H28F2N2O/c1-15(2)27-20-10-8-17(9-11-20)18-13-22(25)21(23(26)14-18)12-16(3)24(29)28-19-6-4-5-7-19/h8-15,19,27H,4-7H2,1-3H3,(H,28,29)/b16-12+
InChIKeyYAVHMGSHPRPSLS-FOWTUZBSSA-N
XLogP5.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide (CID 11553055) is (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide is C/C(=C\c1c(F)cc(-c2ccc(NC(C)C)cc2)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide?
The InChIKey is YAVHMGSHPRPSLS-FOWTUZBSSA-N. The full InChI is InChI=1S/C24H28F2N2O/c1-15(2)27-20-10-8-17(9-11-20)18-13-22(25)21(23(26)14-18)12-16(3)24(29)28-19-6-4-5-7-19/h8-15,19,27H,4-7H2,1-3H3,(H,28,29)/b16-12+.
What are the key properties of (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide?
(E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide has a molecular weight of 398.50 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[2,6-difluoro-4-[4-(propan-2-ylamino)phenyl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 11553055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).