2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide

C16H18FNO2 — CID 83148694

IUPAC2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#CCCO)cc1F)C1CC1
InChIInChI=1S/C16H18FNO2/c1-11(13-6-7-13)16(20)18-15-8-5-12(10-14(15)17)4-2-3-9-19/h5,8,10-11,13,19H,3,6-7,9H2,1H3,(H,18,20)
InChIKeySQDOIYCQWIAVBO-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.54
Rot. Bonds4

About 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide

2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide (PubChem CID 83148694) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
PubChem CID83148694
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#CCCO)cc1F)C1CC1
InChIInChI=1S/C16H18FNO2/c1-11(13-6-7-13)16(20)18-15-8-5-12(10-14(15)17)4-2-3-9-19/h5,8,10-11,13,19H,3,6-7,9H2,1H3,(H,18,20)
InChIKeySQDOIYCQWIAVBO-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
CID 54923015
2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
2-cyclopropyl-N-[1-[4-(4-hydroxybut-1-ynyl)phenyl]ethyl]propanamide
CID 83150092
4-[3-fluoro-4-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816399
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
1,1-difluoro-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]methanesulfonamide
CID 54922688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide (CID 83148694) is 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C#CCCO)cc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide?
The InChIKey is SQDOIYCQWIAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(13-6-7-13)16(20)18-15-8-5-12(10-14(15)17)4-2-3-9-19/h5,8,10-11,13,19H,3,6-7,9H2,1H3,(H,18,20).
What are the key properties of 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide?
2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide has a molecular weight of 275.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide is sourced from PubChem (CID 83148694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).