N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide

C22H25FN2O2 — CID 56525381

IUPACN-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C2CC2)C(C)c2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(20-5-3-4-6-21(20)23)25(19-11-12-19)14-13-22(27)24-18-9-7-17(8-10-18)16(2)26/h3-10,15,19H,11-14H2,1-2H3,(H,24,27)
InChIKeyJNWSLMPWTABIJV-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.58
Rot. Bonds8

About N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide

N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide (PubChem CID 56525381) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
PubChem CID56525381
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(C2CC2)C(C)c2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O2/c1-15(20-5-3-4-6-21(20)23)25(19-11-12-19)14-13-22(27)24-18-9-7-17(8-10-18)16(2)26/h3-10,15,19H,11-14H2,1-2H3,(H,24,27)
InChIKeyJNWSLMPWTABIJV-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
CID 56525372
N-(2-acetylphenyl)-2-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]acetamide
CID 56525295
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
CID 51965688
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 95294341
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51936085
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide (CID 56525381) is N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide is CC(=O)c1ccc(NC(=O)CCN(C2CC2)C(C)c2ccccc2F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
The InChIKey is JNWSLMPWTABIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(20-5-3-4-6-21(20)23)25(19-11-12-19)14-13-22(27)24-18-9-7-17(8-10-18)16(2)26/h3-10,15,19H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide?
N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide has a molecular weight of 368.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 56525381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).