(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide

C10H10FNO — CID 55267143

IUPAC(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
SMILESCc1cc(/C=C\C(N)=O)ccc1F
InChIInChI=1S/C10H10FNO/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6H,1H3,(H2,12,13)/b5-3-
InChIKeyFMYJFTPDIOAHGL-HYXAFXHYSA-N
MW179.19 g/mol
LogP1.63
Rot. Bonds2

About (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide

(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide (PubChem CID 55267143) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
PubChem CID55267143
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
SMILESCc1cc(/C=C\C(N)=O)ccc1F
InChIInChI=1S/C10H10FNO/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6H,1H3,(H2,12,13)/b5-3-
InChIKeyFMYJFTPDIOAHGL-HYXAFXHYSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-fluoro-3-methylphenyl)-2-oxobut-3-enoate
CID 170699525
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
methyl 5-(3-amino-3-oxoprop-1-enyl)-2-fluorobenzoate
CID 169482221
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
chlorobenzene;(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 143982422
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
CID 171372503
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922
4-[(E)-3-(4-fluoro-3-methylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 82640426

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide (CID 55267143) is (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide is Cc1cc(/C=C\C(N)=O)ccc1F.
What is the InChIKey of (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide?
The InChIKey is FMYJFTPDIOAHGL-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6H,1H3,(H2,12,13)/b5-3-.
What are the key properties of (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide?
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide has a molecular weight of 179.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 55267143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).