2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide

C16H29FN4O — CID 135189115

IUPAC2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide
SMILESCCCCC(CCCC)NC(=O)Cn1cc(CCCF)nn1
InChIInChI=1S/C16H29FN4O/c1-3-5-8-14(9-6-4-2)18-16(22)13-21-12-15(19-20-21)10-7-11-17/h12,14H,3-11,13H2,1-2H3,(H,18,22)
InChIKeyPBPOWVRTVCBERY-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.05
Rot. Bonds12

About 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide

2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide (PubChem CID 135189115) has the molecular formula C16H29FN4O and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide
PubChem CID135189115
Molecular FormulaC16H29FN4O
Molecular Weight312.43 g/mol
Exact Mass312.23
IUPAC Name2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide
SMILESCCCCC(CCCC)NC(=O)Cn1cc(CCCF)nn1
InChIInChI=1S/C16H29FN4O/c1-3-5-8-14(9-6-4-2)18-16(22)13-21-12-15(19-20-21)10-7-11-17/h12,14H,3-11,13H2,1-2H3,(H,18,22)
InChIKeyPBPOWVRTVCBERY-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide
CID 24983080
YU-Mono-GK-DP
CID 16129555
(2S,3S)-2-[4-(5-aminopentyl)triazol-1-yl]-3-methyl-N-(11-oxo-11-piperazin-1-ylundecyl)pentanamide
CID 24978578
EK-Mono-IK-DP
CID 24978575
YU-Mono-IK-DP
CID 16129558
YU-Mono-AR-DP
CID 16129519
YU-Mono-KI-DP
CID 16129542
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(4S)-4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-N-ethyl-L-prolinamide
CID 56707869
(4R)-4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-N-ethyl-L-prolinamide
CID 56720817
N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
CID 70684402
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide?
The IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide (CID 135189115) is 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide.
What is the SMILES notation for 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide?
The canonical SMILES for 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide is CCCCC(CCCC)NC(=O)Cn1cc(CCCF)nn1.
What is the InChIKey of 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide?
The InChIKey is PBPOWVRTVCBERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN4O/c1-3-5-8-14(9-6-4-2)18-16(22)13-21-12-15(19-20-21)10-7-11-17/h12,14H,3-11,13H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide?
2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide has a molecular weight of 312.43 g/mol, XLogP of 3.05, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide is sourced from PubChem (CID 135189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).