3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide

C15H18FNO — CID 78829539

IUPAC3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-3-10-17(11-4-2)15(18)9-8-13-6-5-7-14(16)12-13/h3-7,12H,1-2,8-11H2
InChIKeySGGRBTGQXUYIEF-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.96
Rot. Bonds7

About 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide

3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 78829539) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID78829539
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-3-10-17(11-4-2)15(18)9-8-13-6-5-7-14(16)12-13/h3-7,12H,1-2,8-11H2
InChIKeySGGRBTGQXUYIEF-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 60502323
4-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]benzoic acid
CID 82071251
ethyl 2-[3-(3-bromophenyl)propanoyl-prop-2-enylamino]acetate
CID 79422617
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
3-[3-[bis(prop-2-enyl)carbamoylamino]phenyl]propanoic acid
CID 115340495
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 51983037
6-(3-fluorophenyl)hexan-3-one
CID 64521140
(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
CID 102288394
2-[[2-(3-fluorophenoxy)acetyl]-prop-2-enylamino]acetic acid
CID 79256898
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
CID 60541569
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide (CID 78829539) is 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is SGGRBTGQXUYIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-10-17(11-4-2)15(18)9-8-13-6-5-7-14(16)12-13/h3-7,12H,1-2,8-11H2.
What are the key properties of 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide?
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 247.31 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 78829539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).