2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide

C14H18FN5O — CID 62836603

IUPAC2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C14H18FN5O/c1-4-17-14(2,3)13(21)19-10-5-6-12(11(15)7-10)20-9-16-8-18-20/h5-9,17H,4H2,1-3H3,(H,19,21)
InChIKeyQYAXDKJRHGUKFZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.73
Rot. Bonds5

About 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide

2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide (PubChem CID 62836603) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
PubChem CID62836603
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C14H18FN5O/c1-4-17-14(2,3)13(21)19-10-5-6-12(11(15)7-10)20-9-16-8-18-20/h5-9,17H,4H2,1-3H3,(H,19,21)
InChIKeyQYAXDKJRHGUKFZ-UHFFFAOYSA-N
XLogP1.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 62834156
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 60944539
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
(2S)-2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119731503
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 94962183
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylbutanamide
CID 60945442
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide (CID 62836603) is 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide?
The InChIKey is QYAXDKJRHGUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-17-14(2,3)13(21)19-10-5-6-12(11(15)7-10)20-9-16-8-18-20/h5-9,17H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide?
2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide has a molecular weight of 291.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 62836603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).