6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide

C15H20FN5O3 — CID 166210641

IUPAC6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)c1cc2n[nH]nc2cc1F
InChIInChI=1S/C15H20FN5O3/c1-20(8-10(22)9-21-2-4-24-5-3-21)15(23)11-6-13-14(7-12(11)16)18-19-17-13/h6-7,10,22H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyWCOHZDDPDRJXNP-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.14
Rot. Bonds5

About 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide

6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 166210641) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID166210641
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC Name6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)c1cc2n[nH]nc2cc1F
InChIInChI=1S/C15H20FN5O3/c1-20(8-10(22)9-21-2-4-24-5-3-21)15(23)11-6-13-14(7-12(11)16)18-19-17-13/h6-7,10,22H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyWCOHZDDPDRJXNP-UHFFFAOYSA-N
XLogP-0.14
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
CID 111912534
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4,6-trimethyl-1H-indole-2-carboxamide
CID 111912425
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
CID 111695242
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
CID 111912368
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
CID 95974569
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
CID 111912473
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide (CID 166210641) is 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide is CN(CC(O)CN1CCOCC1)C(=O)c1cc2n[nH]nc2cc1F.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is WCOHZDDPDRJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-20(8-10(22)9-21-2-4-24-5-3-21)15(23)11-6-13-14(7-12(11)16)18-19-17-13/h6-7,10,22H,2-5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide?
6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 337.36 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 166210641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).