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

C17H14FNO2 — CID 60804157

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#CCO)cc2F)cc1
InChIInChI=1S/C17H14FNO2/c1-12-4-7-14(8-5-12)17(21)19-16-9-6-13(3-2-10-20)11-15(16)18/h4-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyNRHGBEKHMWDDFP-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.73
Rot. Bonds2

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

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide (PubChem CID 60804157) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
PubChem CID60804157
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#CCO)cc2F)cc1
InChIInChI=1S/C17H14FNO2/c1-12-4-7-14(8-5-12)17(21)19-16-9-6-13(3-2-10-20)11-15(16)18/h4-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyNRHGBEKHMWDDFP-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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-methylpyridine-3-carboxamide
CID 60805057
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
CID 60802943
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
3-chloro-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404080
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60802449
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide (CID 60804157) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C#CCO)cc2F)cc1.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide?
The InChIKey is NRHGBEKHMWDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-4-7-14(8-5-12)17(21)19-16-9-6-13(3-2-10-20)11-15(16)18/h4-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 60804157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).