(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide

C18H17F2N5O — CID 122441070

IUPAC(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C18H17F2N5O/c19-14-7-4-8-15(20)13(14)10-25-11-17(23-24-25)22-18(26)16(21)9-12-5-2-1-3-6-12/h1-8,11,16H,9-10,21H2,(H,22,26)/t16-/m1/s1
InChIKeyRVIIAZDTPXSBSA-MRXNPFEDSA-N
MW357.36 g/mol
LogP2.11
Rot. Bonds6

About (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide

(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide (PubChem CID 122441070) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
PubChem CID122441070
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C18H17F2N5O/c19-14-7-4-8-15(20)13(14)10-25-11-17(23-24-25)22-18(26)16(21)9-12-5-2-1-3-6-12/h1-8,11,16H,9-10,21H2,(H,22,26)/t16-/m1/s1
InChIKeyRVIIAZDTPXSBSA-MRXNPFEDSA-N
XLogP2.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-(2-phenyl-2H-1,2,3-triazol-4-yl)acetamide
CID 75398271
N-(2-(4-cyclohexylpiperazin-1-yl)ethyl)-1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-amine
CID 76684563
US10246426, Example 1
CID 118962038
US10246426, Example 54
CID 118962041
US10246426, Example 5
CID 118962042
US10246426, Example 159
CID 118962153
US10246426, Example 2
CID 118962188
(2S,4R)-1-[2-[4-(dimethylamino)triazol-1-yl]acetyl]-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165139707
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(4-piperazin-1-yltriazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139991
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-[(1-ethyltriazol-4-yl)-methylamino]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 167188519
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-[4-(dimethylamino)triazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 167188524
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-[(1-ethyltriazol-4-yl)amino]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 169551323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide (CID 122441070) is (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)Nc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The InChIKey is RVIIAZDTPXSBSA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-14-7-4-8-15(20)13(14)10-25-11-17(23-24-25)22-18(26)16(21)9-12-5-2-1-3-6-12/h1-8,11,16H,9-10,21H2,(H,22,26)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide has a molecular weight of 357.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 122441070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).