N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide

C15H20FNO2 — CID 103597846

IUPACN-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCCC(C)N(C)C(=O)C=Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-5-11(2)17(3)15(18)9-7-12-6-8-14(19-4)13(16)10-12/h6-11H,5H2,1-4H3
InChIKeyHBRPQNLWKRFKLP-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.10
Rot. Bonds5

About N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide

N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 103597846) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID103597846
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCCC(C)N(C)C(=O)C=Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-5-11(2)17(3)15(18)9-7-12-6-8-14(19-4)13(16)10-12/h6-11H,5H2,1-4H3
InChIKeyHBRPQNLWKRFKLP-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylprop-2-enamide
CID 61039442
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103597835
N,N-bis(2-cyanoethyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103598565
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109122
(E)-N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9426951
(E)-N-[(2,4-dimethylphenyl)methyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9228072
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55453293
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide (CID 103597846) is N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide is CCC(C)N(C)C(=O)C=Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is HBRPQNLWKRFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-5-11(2)17(3)15(18)9-7-12-6-8-14(19-4)13(16)10-12/h6-11H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide?
N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 265.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 103597846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).