4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide

C14H16F2N2O — CID 89214940

IUPAC4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESC=C(F)/C(NC(=O)C1=CC=C(N)CC1)=C(F)\C=C/C
InChIInChI=1S/C14H16F2N2O/c1-3-4-12(16)13(9(2)15)18-14(19)10-5-7-11(17)8-6-10/h3-5,7H,2,6,8,17H2,1H3,(H,18,19)/b4-3-,13-12-
InChIKeyHGHUCRULAQIUNU-RTWPIBFVSA-N
MW266.29 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide

4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 89214940) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID89214940
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESC=C(F)/C(NC(=O)C1=CC=C(N)CC1)=C(F)\C=C/C
InChIInChI=1S/C14H16F2N2O/c1-3-4-12(16)13(9(2)15)18-14(19)10-5-7-11(17)8-6-10/h3-5,7H,2,6,8,17H2,1H3,(H,18,19)/b4-3-,13-12-
InChIKeyHGHUCRULAQIUNU-RTWPIBFVSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide (CID 89214940) is 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide is C=C(F)/C(NC(=O)C1=CC=C(N)CC1)=C(F)\C=C/C.
What is the InChIKey of 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is HGHUCRULAQIUNU-RTWPIBFVSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-3-4-12(16)13(9(2)15)18-14(19)10-5-7-11(17)8-6-10/h3-5,7H,2,6,8,17H2,1H3,(H,18,19)/b4-3-,13-12-.
What are the key properties of 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide?
4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 89214940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).