3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide

C18H19FN2O2 — CID 4792587

IUPAC3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(F)cc1C)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12-10-15(19)8-9-16(12)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKVPHZWXCRNVEDS-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.34
Rot. Bonds5

About 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide

3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide (PubChem CID 4792587) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
PubChem CID4792587
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(F)cc1C)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-12-10-15(19)8-9-16(12)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKVPHZWXCRNVEDS-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
methyl 3-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-4-methylbenzoate
CID 8920175
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 46797658
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide (CID 4792587) is 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccc(F)cc1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is KVPHZWXCRNVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-10-15(19)8-9-16(12)21-18(23)11-17(20-13(2)22)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide?
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4792587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).