N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide

C15H18FNO2 — CID 104780549

IUPACN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C15H18FNO2/c1-10(2)11(3)15(19)17-13-6-7-14(16)12(9-13)5-4-8-18/h6-7,9-11,18H,8H2,1-3H3,(H,17,19)
InChIKeyTVKMPNBMWZRNSZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.40
Rot. Bonds3

About N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide (PubChem CID 104780549) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
PubChem CID104780549
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C15H18FNO2/c1-10(2)11(3)15(19)17-13-6-7-14(16)12(9-13)5-4-8-18/h6-7,9-11,18H,8H2,1-3H3,(H,17,19)
InChIKeyTVKMPNBMWZRNSZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.40
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

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpentanamide
CID 104780537
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
propyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 112738643
2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-3-methylbutane-1-sulfonamide
CID 104780980
5-ethyl-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 104780467
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide (CID 104780549) is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)Nc1ccc(F)c(C#CCO)c1.
What is the InChIKey of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide?
The InChIKey is TVKMPNBMWZRNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(2)11(3)15(19)17-13-6-7-14(16)12(9-13)5-4-8-18/h6-7,9-11,18H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide?
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide has a molecular weight of 263.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 104780549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).