1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide

C21H22FN5O — CID 119043140

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)c2C1
InChIInChI=1S/C21H22FN5O/c1-3-9-26-11-15-5-4-6-18(17(15)12-26)23-21(28)19-13-27(25-24-19)20-8-7-16(22)10-14(20)2/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,23,28)
InChIKeyYSUAMMTUYPDBMC-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide

1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide (PubChem CID 119043140) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide
PubChem CID119043140
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)c2C1
InChIInChI=1S/C21H22FN5O/c1-3-9-26-11-15-5-4-6-18(17(15)12-26)23-21(28)19-13-27(25-24-19)20-8-7-16(22)10-14(20)2/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,23,28)
InChIKeyYSUAMMTUYPDBMC-UHFFFAOYSA-N
XLogP3.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
CID 119041491
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872398
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 126773291
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)triazole
CID 62401176
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-[1-(4-fluoro-2-methylphenyl)triazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117090
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66287910
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide (CID 119043140) is 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide is CCCN1Cc2cccc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)c2C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide?
The InChIKey is YSUAMMTUYPDBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-3-9-26-11-15-5-4-6-18(17(15)12-26)23-21(28)19-13-27(25-24-19)20-8-7-16(22)10-14(20)2/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,23,28).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 119043140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).