N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide

C23H18FNO — CID 90547954

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC#Cc1ccccc1F
InChIInChI=1S/C23H18FNO/c24-22-11-5-4-9-21(22)10-6-16-25-23(26)17-18-12-14-20(15-13-18)19-7-2-1-3-8-19/h1-5,7-9,11-15H,16-17H2,(H,25,26)
InChIKeyOTJAMRYRSYDYKO-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.20
Rot. Bonds4

About N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide

N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide (PubChem CID 90547954) has the molecular formula C23H18FNO and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
PubChem CID90547954
Molecular FormulaC23H18FNO
Molecular Weight343.40 g/mol
Exact Mass343.14
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC#Cc1ccccc1F
InChIInChI=1S/C23H18FNO/c24-22-11-5-4-9-21(22)10-6-16-25-23(26)17-18-12-14-20(15-13-18)19-7-2-1-3-8-19/h1-5,7-9,11-15H,16-17H2,(H,25,26)
InChIKeyOTJAMRYRSYDYKO-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
1-benzyl-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552583
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
CID 90547946
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
CID 90547949

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide (CID 90547954) is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC#Cc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is OTJAMRYRSYDYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO/c24-22-11-5-4-9-21(22)10-6-16-25-23(26)17-18-12-14-20(15-13-18)19-7-2-1-3-8-19/h1-5,7-9,11-15H,16-17H2,(H,25,26).
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90547954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).