3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide

C17H21FN2O2 — CID 99997630

IUPAC3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide
SMILESCn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-20-12-4-7-15(20)16(21)10-11-19-17(22)9-8-13-5-2-3-6-14(13)18/h2-7,12,16,21H,8-11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCUXZTZCRDLVJCE-INIZCTEOSA-N
MW304.36 g/mol
LogP2.34
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide

3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide (PubChem CID 99997630) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide
PubChem CID99997630
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide
SMILESCn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-20-12-4-7-15(20)16(21)10-11-19-17(22)9-8-13-5-2-3-6-14(13)18/h2-7,12,16,21H,8-11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCUXZTZCRDLVJCE-INIZCTEOSA-N
XLogP2.34
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide (CID 99997630) is 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide is Cn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide?
The InChIKey is CUXZTZCRDLVJCE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-20-12-4-7-15(20)16(21)10-11-19-17(22)9-8-13-5-2-3-6-14(13)18/h2-7,12,16,21H,8-11H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide?
3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide has a molecular weight of 304.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]propanamide is sourced from PubChem (CID 99997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).