5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide

C21H23FN6O3 — CID 67010502

IUPAC5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide
SMILESNCCCC(NC(=O)Cn1cncn1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN6O3/c22-15-3-7-17(8-4-15)31-18-9-5-16(6-10-18)26-21(30)19(2-1-11-23)27-20(29)12-28-14-24-13-25-28/h3-10,13-14,19H,1-2,11-12,23H2,(H,26,30)(H,27,29)
InChIKeyCEVMODKLUWFJKO-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.07
Rot. Bonds10

About 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide

5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide (PubChem CID 67010502) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide
PubChem CID67010502
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide
SMILESNCCCC(NC(=O)Cn1cncn1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN6O3/c22-15-3-7-17(8-4-15)31-18-9-5-16(6-10-18)26-21(30)19(2-1-11-23)27-20(29)12-28-14-24-13-25-28/h3-10,13-14,19H,1-2,11-12,23H2,(H,26,30)(H,27,29)
InChIKeyCEVMODKLUWFJKO-UHFFFAOYSA-N
XLogP2.07
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide with MolForge

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Related Compounds

(2S)-N-[4-(4-fluorophenoxy)phenyl]-3-[(4-fluorophenyl)methoxy]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
CID 67010133
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-(tetrazol-1-yl)acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(tetrazol-1-yl)acetyl]amino]hexanamide
CID 87971191
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
(2S)-N-[4-(4-fluorophenoxy)phenyl]-2-[(2-imidazol-1-ylacetyl)amino]-3-phenylmethoxypropanamide
CID 67010172
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 56954244
[5-[[4-(4-fluorophenoxy)phenyl]carbamoyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-3-yl]carbamic acid
CID 68564340
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159
(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenoxy-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 67010429
N-[4-(4-fluorophenoxy)phenyl]-4-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 91288627
N-[4-(4-fluoro-3-methylphenoxy)phenyl]-4-[(4-fluorophenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 67378924
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide?
The IUPAC name of 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide (CID 67010502) is 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide.
What is the SMILES notation for 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide?
The canonical SMILES for 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide is NCCCC(NC(=O)Cn1cncn1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide?
The InChIKey is CEVMODKLUWFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c22-15-3-7-17(8-4-15)31-18-9-5-16(6-10-18)26-21(30)19(2-1-11-23)27-20(29)12-28-14-24-13-25-28/h3-10,13-14,19H,1-2,11-12,23H2,(H,26,30)(H,27,29).
What are the key properties of 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide?
5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide has a molecular weight of 426.45 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(4-fluorophenoxy)phenyl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanamide is sourced from PubChem (CID 67010502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).