N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide

C18H24FN5O2 — CID 46996572

IUPACN'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)NCCc2nncn2C(C)C)c1
InChIInChI=1S/C18H24FN5O2/c1-12(2)24-11-21-23-16(24)8-9-20-17(25)6-7-18(26)22-15-10-13(3)4-5-14(15)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyVUIOUQDEDRFZCY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.38
Rot. Bonds8

About N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide

N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide (PubChem CID 46996572) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide
PubChem CID46996572
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)NCCc2nncn2C(C)C)c1
InChIInChI=1S/C18H24FN5O2/c1-12(2)24-11-21-23-16(24)8-9-20-17(25)6-7-18(26)22-15-10-13(3)4-5-14(15)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyVUIOUQDEDRFZCY-UHFFFAOYSA-N
XLogP2.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide with MolForge

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Related Compounds

4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
1-(2-fluoro-5-methylphenyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 72926635
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
CID 46995000
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
CID 46984462
8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
CID 133394032
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 86935717
3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 9455254

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide (CID 46996572) is N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide is Cc1ccc(F)c(NC(=O)CCC(=O)NCCc2nncn2C(C)C)c1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The InChIKey is VUIOUQDEDRFZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-12(2)24-11-21-23-16(24)8-9-20-17(25)6-7-18(26)22-15-10-13(3)4-5-14(15)19/h4-5,10-12H,6-9H2,1-3H3,(H,20,25)(H,22,26).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide?
N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide has a molecular weight of 361.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanediamide is sourced from PubChem (CID 46996572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).