2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide

C19H18FN3O3 — CID 67067988

IUPAC2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESCC(=O)NC(C#N)(Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C19H18FN3O3/c1-13(24)23-19(12-21,18(22)25)10-14-5-7-17(8-6-14)26-11-15-3-2-4-16(20)9-15/h2-9H,10-11H2,1H3,(H2,22,25)(H,23,24)
InChIKeyMKFGXRPHJHOKHF-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.83
Rot. Bonds7

About 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide

2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide (PubChem CID 67067988) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
PubChem CID67067988
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESCC(=O)NC(C#N)(Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C19H18FN3O3/c1-13(24)23-19(12-21,18(22)25)10-14-5-7-17(8-6-14)26-11-15-3-2-4-16(20)9-15/h2-9H,10-11H2,1H3,(H2,22,25)(H,23,24)
InChIKeyMKFGXRPHJHOKHF-UHFFFAOYSA-N
XLogP1.83
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide 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

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
[3-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methyl-3-oxopropyl] methanesulfonate
CID 140987243
N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
CID 58115485
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
N-tert-butyl-2-[[N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385412
ethyl 2-(3-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69353995
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide (CID 67067988) is 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide is CC(=O)NC(C#N)(Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.
What is the InChIKey of 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The InChIKey is MKFGXRPHJHOKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13(24)23-19(12-21,18(22)25)10-14-5-7-17(8-6-14)26-11-15-3-2-4-16(20)9-15/h2-9H,10-11H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide has a molecular weight of 355.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 67067988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).