2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide

C24H26FNO — CID 142901934

IUPAC2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide
SMILESC=c1cccc/c1=C/C(=C\C)C(C)NC(=O)C1CC1C1=CC(F)=CCC=C1
InChIInChI=1S/C24H26FNO/c1-4-18(13-19-10-6-5-9-16(19)2)17(3)26-24(27)23-15-22(23)20-11-7-8-12-21(25)14-20/h4-7,9-14,17,22-23H,2,8,15H2,1,3H3,(H,26,27)/b18-4-,19-13-
InChIKeyXERPDQZUWJQZJZ-TVXNISPCSA-N
MW363.48 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide

2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide (PubChem CID 142901934) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide
PubChem CID142901934
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide
SMILESC=c1cccc/c1=C/C(=C\C)C(C)NC(=O)C1CC1C1=CC(F)=CCC=C1
InChIInChI=1S/C24H26FNO/c1-4-18(13-19-10-6-5-9-16(19)2)17(3)26-24(27)23-15-22(23)20-11-7-8-12-21(25)14-20/h4-7,9-14,17,22-23H,2,8,15H2,1,3H3,(H,26,27)/b18-4-,19-13-
InChIKeyXERPDQZUWJQZJZ-TVXNISPCSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide (CID 142901934) is 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide is C=c1cccc/c1=C/C(=C\C)C(C)NC(=O)C1CC1C1=CC(F)=CCC=C1.
What is the InChIKey of 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide?
The InChIKey is XERPDQZUWJQZJZ-TVXNISPCSA-N. The full InChI is InChI=1S/C24H26FNO/c1-4-18(13-19-10-6-5-9-16(19)2)17(3)26-24(27)23-15-22(23)20-11-7-8-12-21(25)14-20/h4-7,9-14,17,22-23H,2,8,15H2,1,3H3,(H,26,27)/b18-4-,19-13-.
What are the key properties of 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide?
2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142901934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).