N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide

C16H18FN5O2 — CID 126829428

IUPACN-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1cn(C2CCC2)nn1
InChIInChI=1S/C16H18FN5O2/c17-12-6-4-11(5-7-12)16(24)19-9-15(23)18-8-13-10-22(21-20-13)14-2-1-3-14/h4-7,10,14H,1-3,8-9H2,(H,18,23)(H,19,24)
InChIKeyZQSSXLCNYPYTHV-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 126829428) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID126829428
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC NameN-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCc1cn(C2CCC2)nn1
InChIInChI=1S/C16H18FN5O2/c17-12-6-4-11(5-7-12)16(24)19-9-15(23)18-8-13-10-22(21-20-13)14-2-1-3-14/h4-7,10,14H,1-3,8-9H2,(H,18,23)(H,19,24)
InChIKeyZQSSXLCNYPYTHV-UHFFFAOYSA-N
XLogP1.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
CID 166430643
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698978
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 126829428) is N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)NCc1cn(C2CCC2)nn1.
What is the InChIKey of N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ZQSSXLCNYPYTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-12-6-4-11(5-7-12)16(24)19-9-15(23)18-8-13-10-22(21-20-13)14-2-1-3-14/h4-7,10,14H,1-3,8-9H2,(H,18,23)(H,19,24).
What are the key properties of N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 331.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 126829428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).