(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide

C16H18FNO — CID 110481161

IUPAC(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO/c1-2-3-4-9-15(19)18-12-16(10-11-16)13-7-5-6-8-14(13)17/h2-9H,10-12H2,1H3,(H,18,19)/b3-2+,9-4+
InChIKeyVSCFLDZVEXLPLD-DSXPNFDZSA-N
MW259.32 g/mol
LogP3.11
Rot. Bonds5

About (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide

(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide (PubChem CID 110481161) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
PubChem CID110481161
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO/c1-2-3-4-9-15(19)18-12-16(10-11-16)13-7-5-6-8-14(13)17/h2-9H,10-12H2,1H3,(H,18,19)/b3-2+,9-4+
InChIKeyVSCFLDZVEXLPLD-DSXPNFDZSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide 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

1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
CID 86792113
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
CID 110477965
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]formamide
CID 110477207
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
CID 86777752
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97079912
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide (CID 110481161) is (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC1(c2ccccc2F)CC1.
What is the InChIKey of (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide?
The InChIKey is VSCFLDZVEXLPLD-DSXPNFDZSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-3-4-9-15(19)18-12-16(10-11-16)13-7-5-6-8-14(13)17/h2-9H,10-12H2,1H3,(H,18,19)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide?
(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide has a molecular weight of 259.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 110481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).