N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide

C19H21FN2O — CID 86860874

IUPACN-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-2-13-22(14-12-16-8-4-3-5-9-16)15-19(23)21-18-11-7-6-10-17(18)20/h2-11H,1,12-15H2,(H,21,23)
InChIKeyYKDUHLMTICLGOK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.49
Rot. Bonds8

About N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide

N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide (PubChem CID 86860874) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
PubChem CID86860874
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-2-13-22(14-12-16-8-4-3-5-9-16)15-19(23)21-18-11-7-6-10-17(18)20/h2-11H,1,12-15H2,(H,21,23)
InChIKeyYKDUHLMTICLGOK-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326624
2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 52783393
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
N-(2-acetylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 115631892
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
CID 51097266
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide (CID 86860874) is N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide is C=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
The InChIKey is YKDUHLMTICLGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-2-13-22(14-12-16-8-4-3-5-9-16)15-19(23)21-18-11-7-6-10-17(18)20/h2-11H,1,12-15H2,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide?
N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 86860874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).