3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide

C22H25FN2O2 — CID 110615565

IUPAC3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NC(C)C(=O)Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-14-7-9-16(10-8-14)18(17-11-12-17)13-21(26)24-15(2)22(27)25-20-6-4-3-5-19(20)23/h3-10,15,17-18H,11-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRRFKQXCNCCLWQE-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.16
Rot. Bonds7

About 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide

3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 110615565) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
PubChem CID110615565
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NC(C)C(=O)Nc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H25FN2O2/c1-14-7-9-16(10-8-14)18(17-11-12-17)13-21(26)24-15(2)22(27)25-20-6-4-3-5-19(20)23/h3-10,15,17-18H,11-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRRFKQXCNCCLWQE-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
N-(2-fluorophenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78880353
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110301493
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
N-(2-fluorophenyl)-2-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanamide
CID 110406367
3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide
CID 110307373
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827311

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide (CID 110615565) is 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)NC(C)C(=O)Nc2ccccc2F)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is RRFKQXCNCCLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-7-9-16(10-8-14)18(17-11-12-17)13-21(26)24-15(2)22(27)25-20-6-4-3-5-19(20)23/h3-10,15,17-18H,11-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide?
3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 368.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110615565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).