N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide

C12H14FNO2 — CID 142970675

IUPACN-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide
SMILESCC=CC(=O)N(Cc1ccc(F)cc1)OC
InChIInChI=1S/C12H14FNO2/c1-3-4-12(15)14(16-2)9-10-5-7-11(13)8-6-10/h3-8H,9H2,1-2H3
InChIKeyRVOUDNWEIQMTLO-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.29
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide

N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide (PubChem CID 142970675) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide
PubChem CID142970675
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide
SMILESCC=CC(=O)N(Cc1ccc(F)cc1)OC
InChIInChI=1S/C12H14FNO2/c1-3-4-12(15)14(16-2)9-10-5-7-11(13)8-6-10/h3-8H,9H2,1-2H3
InChIKeyRVOUDNWEIQMTLO-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54706524
(E)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 87892804
(Z)-N-cyclopentylsulfanyl-N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxybut-2-enediamide
CID 142970659
(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 59098252
N,N-dibenzylbut-2-enamide
CID 71340814
N-bromo-1-(4-fluorophenyl)-N-methoxymethanamine
CID 87937928
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
(Z)-4-[(4-fluoro-3-methylphenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54679737
N'-[(4-fluorophenyl)methyl]-N'-methoxy-N-(4-methylphenyl)sulfonyl-2-oxobutanediamide
CID 11396093
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
(E)-4-[(4-fluorophenyl)methyl-propylamino]-4-oxobut-2-enoic acid
CID 39364476
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide (CID 142970675) is N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide is CC=CC(=O)N(Cc1ccc(F)cc1)OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide?
The InChIKey is RVOUDNWEIQMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-4-12(15)14(16-2)9-10-5-7-11(13)8-6-10/h3-8H,9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide?
N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methoxybut-2-enamide is sourced from PubChem (CID 142970675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).