N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide

C17H13F2NO2 — CID 167449564

IUPACN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
SMILESC#CCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C17H13F2NO2/c1-2-4-17(21)20-14-7-8-16(15(19)10-14)22-11-12-5-3-6-13(18)9-12/h1,3,5-10H,4,11H2,(H,20,21)
InChIKeySWSRIJKGVBEIKL-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.51
Rot. Bonds5

About N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide

N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide (PubChem CID 167449564) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
PubChem CID167449564
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC NameN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
SMILESC#CCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C17H13F2NO2/c1-2-4-17(21)20-14-7-8-16(15(19)10-14)22-11-12-5-3-6-13(18)9-12/h1,3,5-10H,4,11H2,(H,20,21)
InChIKeySWSRIJKGVBEIKL-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide 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

2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
N-[4-[(3-ethynylphenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449764
(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
CID 95324364
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide?
The IUPAC name of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide (CID 167449564) is N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide.
What is the SMILES notation for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide?
The canonical SMILES for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide is C#CCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide?
The InChIKey is SWSRIJKGVBEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-2-4-17(21)20-14-7-8-16(15(19)10-14)22-11-12-5-3-6-13(18)9-12/h1,3,5-10H,4,11H2,(H,20,21).
What are the key properties of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide?
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide has a molecular weight of 301.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide is sourced from PubChem (CID 167449564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).