N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide

C17H17FN2O2 — CID 52559111

IUPACN-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2ccccc2)ccc1F
InChIInChI=1S/C17H17FN2O2/c1-12(21)19-16-11-14(8-9-15(16)18)20-17(22)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyVJHIPKYIHOIZIG-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.36
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide

N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide (PubChem CID 52559111) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
PubChem CID52559111
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2ccccc2)ccc1F
InChIInChI=1S/C17H17FN2O2/c1-12(21)19-16-11-14(8-9-15(16)18)20-17(22)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyVJHIPKYIHOIZIG-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-[5-[(4-bromophenyl)methylamino]-2-fluorophenyl]-3-phenylpropanamide
CID 163286469
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide (CID 52559111) is N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide is CC(=O)Nc1cc(NC(=O)CCc2ccccc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is VJHIPKYIHOIZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(21)19-16-11-14(8-9-15(16)18)20-17(22)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide?
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 300.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 52559111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).