3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide

C23H30FN3O — CID 56526257

IUPAC3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1F)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C23H30FN3O/c1-3-26(16-14-23(28)25-22-12-8-7-11-21(22)24)20-13-15-27(17-20)18(2)19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyBVIHQQXRDYHAKF-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.31
Rot. Bonds8

About 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide

3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide (PubChem CID 56526257) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
PubChem CID56526257
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1F)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C23H30FN3O/c1-3-26(16-14-23(28)25-22-12-8-7-11-21(22)24)20-13-15-27(17-20)18(2)19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyBVIHQQXRDYHAKF-UHFFFAOYSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 56526240
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98728851
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98755711
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide (CID 56526257) is 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide is CCN(CCC(=O)Nc1ccccc1F)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is BVIHQQXRDYHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-26(16-14-23(28)25-22-12-8-7-11-21(22)24)20-13-15-27(17-20)18(2)19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28).
What are the key properties of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide?
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 383.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 56526257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).