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

C17H14FNO2 — CID 104780566

IUPACN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C17H14FNO2/c1-12-5-2-3-7-15(12)17(21)19-14-8-9-16(18)13(11-14)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyCIAQUAPELKLXLZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.73
Rot. Bonds2

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

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide (PubChem CID 104780566) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
PubChem CID104780566
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C17H14FNO2/c1-12-5-2-3-7-15(12)17(21)19-14-8-9-16(18)13(11-14)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyCIAQUAPELKLXLZ-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.73
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-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 104780561
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
CID 104780549
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
5-ethyl-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 104780467
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide (CID 104780566) is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(F)c(C#CCO)c1.
What is the InChIKey of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The InChIKey is CIAQUAPELKLXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-5-2-3-7-15(12)17(21)19-14-8-9-16(18)13(11-14)6-4-10-20/h2-3,5,7-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide has a molecular weight of 283.30 g/mol, XLogP of 2.73, 2 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-methylbenzamide is sourced from PubChem (CID 104780566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).