N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide

C19H24FNO — CID 146227609

IUPACN-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide
SMILESC=C/C=C\C(F)=C(/CC)c1cc(CC)c(NC=O)c(CC)c1
InChIInChI=1S/C19H24FNO/c1-5-9-10-18(20)17(8-4)16-11-14(6-2)19(21-13-22)15(7-3)12-16/h5,9-13H,1,6-8H2,2-4H3,(H,21,22)/b10-9-,18-17-
InChIKeyHOUTUYDSULHBCF-XINWAFBYSA-N
MW301.40 g/mol
LogP5.21
Rot. Bonds8

About N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide

N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide (PubChem CID 146227609) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide
PubChem CID146227609
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide
SMILESC=C/C=C\C(F)=C(/CC)c1cc(CC)c(NC=O)c(CC)c1
InChIInChI=1S/C19H24FNO/c1-5-9-10-18(20)17(8-4)16-11-14(6-2)19(21-13-22)15(7-3)12-16/h5,9-13H,1,6-8H2,2-4H3,(H,21,22)/b10-9-,18-17-
InChIKeyHOUTUYDSULHBCF-XINWAFBYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide?
The IUPAC name of N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide (CID 146227609) is N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide.
What is the SMILES notation for N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide?
The canonical SMILES for N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide is C=C/C=C\C(F)=C(/CC)c1cc(CC)c(NC=O)c(CC)c1.
What is the InChIKey of N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide?
The InChIKey is HOUTUYDSULHBCF-XINWAFBYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-5-9-10-18(20)17(8-4)16-11-14(6-2)19(21-13-22)15(7-3)12-16/h5,9-13H,1,6-8H2,2-4H3,(H,21,22)/b10-9-,18-17-.
What are the key properties of N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide?
N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide has a molecular weight of 301.40 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-diethyl-4-[(3Z,5Z)-4-fluoroocta-3,5,7-trien-3-yl]phenyl]formamide is sourced from PubChem (CID 146227609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).