2-[(4-fluorophenyl)methoxy]pent-4-enamide

C12H14FNO2 — CID 90939043

IUPAC2-[(4-fluorophenyl)methoxy]pent-4-enamide
SMILESC=CCC(OCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H14FNO2/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h2,4-7,11H,1,3,8H2,(H2,14,15)
InChIKeyNFVNHJMIOKFXOT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.77
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]pent-4-enamide

2-[(4-fluorophenyl)methoxy]pent-4-enamide (PubChem CID 90939043) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]pent-4-enamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]pent-4-enamide
PubChem CID90939043
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[(4-fluorophenyl)methoxy]pent-4-enamide
SMILESC=CCC(OCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H14FNO2/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h2,4-7,11H,1,3,8H2,(H2,14,15)
InChIKeyNFVNHJMIOKFXOT-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(4-fluorophenyl)hex-5-en-2-one
CID 116606869
(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide
CID 164740916
ethyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 125467960
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
(4-fluorophenyl)methyl 2,2-bis(trifluoromethyl)but-3-enoate
CID 71672799
prop-2-enyl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride
CID 174107784
1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
(4-fluorophenyl)methyl acetate
CID 14793785
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
2-[(4-fluorophenyl)methyl]-5-prop-2-enylhex-3-enedioic acid
CID 77463853
3-amino-1-(4-hydroxyphenyl)hex-5-en-2-one
CID 116607002

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]pent-4-enamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]pent-4-enamide (CID 90939043) is 2-[(4-fluorophenyl)methoxy]pent-4-enamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]pent-4-enamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]pent-4-enamide is C=CCC(OCc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]pent-4-enamide?
The InChIKey is NFVNHJMIOKFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h2,4-7,11H,1,3,8H2,(H2,14,15).
What are the key properties of 2-[(4-fluorophenyl)methoxy]pent-4-enamide?
2-[(4-fluorophenyl)methoxy]pent-4-enamide has a molecular weight of 223.25 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]pent-4-enamide is sourced from PubChem (CID 90939043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).