3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide

C16H21FN4O — CID 125178212

IUPAC3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H21FN4O/c1-3-9-21-16(18-11-19-21)12(2)20-15(22)8-7-13-5-4-6-14(17)10-13/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeySBFXWJSFXFQMLZ-LBPRGKRZSA-N
MW304.37 g/mol
LogP2.64
Rot. Bonds7

About 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide

3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 125178212) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID125178212
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H21FN4O/c1-3-9-21-16(18-11-19-21)12(2)20-15(22)8-7-13-5-4-6-14(17)10-13/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeySBFXWJSFXFQMLZ-LBPRGKRZSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 125178212) is 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide is CCCn1ncnc1[C@H](C)NC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is SBFXWJSFXFQMLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-3-9-21-16(18-11-19-21)12(2)20-15(22)8-7-13-5-4-6-14(17)10-13/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 125178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).