N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide

C16H21FN4O — CID 96533403

IUPACN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN(C(=O)CCCn1cncn1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-3-21(13(2)14-6-8-15(17)9-7-14)16(22)5-4-10-20-12-18-11-19-20/h6-9,11-13H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyLLKPQGAWZGUVRZ-CYBMUJFWSA-N
MW304.37 g/mol
LogP2.81
Rot. Bonds7

About N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide

N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 96533403) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID96533403
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN(C(=O)CCCn1cncn1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-3-21(13(2)14-6-8-15(17)9-7-14)16(22)5-4-10-20-12-18-11-19-20/h6-9,11-13H,3-5,10H2,1-2H3/t13-/m1/s1
InChIKeyLLKPQGAWZGUVRZ-CYBMUJFWSA-N
XLogP2.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 111109335
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625443
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122132337
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
N-butyl-N-[(2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 50955019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 96533403) is N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide is CCN(C(=O)CCCn1cncn1)[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is LLKPQGAWZGUVRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-3-21(13(2)14-6-8-15(17)9-7-14)16(22)5-4-10-20-12-18-11-19-20/h6-9,11-13H,3-5,10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 304.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 96533403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).