1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone

C12H14FNO — CID 107129792

IUPAC1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H14FNO/c1-3-6-14-8-12(15)10-5-4-9(2)11(13)7-10/h3-5,7,14H,1,6,8H2,2H3
InChIKeyGBNFCABNAWDJQZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone

1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone (PubChem CID 107129792) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
PubChem CID107129792
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H14FNO/c1-3-6-14-8-12(15)10-5-4-9(2)11(13)7-10/h3-5,7,14H,1,6,8H2,2H3
InChIKeyGBNFCABNAWDJQZ-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830523
1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589827
2-(4-chloro-3-nitroanilino)-1-(3-fluoro-4-methylphenyl)ethanone
CID 110825130
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
CID 103434889
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone (CID 107129792) is 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is GBNFCABNAWDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-6-14-8-12(15)10-5-4-9(2)11(13)7-10/h3-5,7,14H,1,6,8H2,2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone?
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 107129792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).