N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide

C12H14FNO2 — CID 164896874

IUPACN-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide
SMILESC=C(OCC)c1ccc(NC(C)=O)c(F)c1
InChIInChI=1S/C12H14FNO2/c1-4-16-8(2)10-5-6-12(11(13)7-10)14-9(3)15/h5-7H,2,4H2,1,3H3,(H,14,15)
InChIKeyASZQWUYUHAESQJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide

N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide (PubChem CID 164896874) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide
PubChem CID164896874
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide
SMILESC=C(OCC)c1ccc(NC(C)=O)c(F)c1
InChIInChI=1S/C12H14FNO2/c1-4-16-8(2)10-5-6-12(11(13)7-10)14-9(3)15/h5-7H,2,4H2,1,3H3,(H,14,15)
InChIKeyASZQWUYUHAESQJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide 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

tert-butyl N-[4-(1-ethoxyethenyl)-2-(trifluoromethyl)phenyl]carbamate
CID 164842670
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
3-fluoro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 170783845
ethyl 2-[(4-chloro-2-fluorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 57224086
4-(2-ethoxyethylcarbamoylamino)-3-fluorobenzoic acid
CID 63190066
methyl 4-(carbamoylamino)-3-fluorobenzoate
CID 142338466
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
[2-[1-(2-methylphenyl)propan-2-ylamino]-2-oxoethyl] 4-acetamido-3-fluorobenzoate
CID 167770895
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187790
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
4-[[(2S)-2-aminobutanoyl]amino]-3-fluorobenzoic acid
CID 79023474

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide (CID 164896874) is N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide is C=C(OCC)c1ccc(NC(C)=O)c(F)c1.
What is the InChIKey of N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide?
The InChIKey is ASZQWUYUHAESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-4-16-8(2)10-5-6-12(11(13)7-10)14-9(3)15/h5-7H,2,4H2,1,3H3,(H,14,15).
What are the key properties of N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide?
N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide has a molecular weight of 223.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 164896874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).