2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide

C24H18FN3O2 — CID 505007

IUPAC2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
SMILESO=C(c1ncccn1)C(F)C(=O)N(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H18FN3O2/c25-21(22(29)23-26-13-6-14-27-23)24(30)28(20-9-2-1-3-10-20)16-17-11-12-18-7-4-5-8-19(18)15-17/h1-15,21H,16H2
InChIKeyPVJXRTUOROOTMN-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.38
Rot. Bonds6

About 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide

2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide (PubChem CID 505007) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
PubChem CID505007
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
SMILESO=C(c1ncccn1)C(F)C(=O)N(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H18FN3O2/c25-21(22(29)23-26-13-6-14-27-23)24(30)28(20-9-2-1-3-10-20)16-17-11-12-18-7-4-5-8-19(18)15-17/h1-15,21H,16H2
InChIKeyPVJXRTUOROOTMN-UHFFFAOYSA-N
XLogP4.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-(3-pyrimidin-2-ylprop-2-ynyl)acetamide
CID 168286208
US9815796, Example 102
CID 139268033
N-(4-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504977
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505033
N-(3-Diethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 505049
N,N-Dimethyl-3-[(3-oxo-3-pyrimidin-2-yl-propionyl)-(3-trifluoromethyl-benzyl)-amino]-benzamide
CID 505196
N-isopropyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 504975
N-(3-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504976
N-(2-naphthylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-yl-propanamide
CID 504994
N-(3,5-dichlorophenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504995
N-benzyl-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504998
N,N-dimethyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505002

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide (CID 505007) is 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide is O=C(c1ncccn1)C(F)C(=O)N(Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The InChIKey is PVJXRTUOROOTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c25-21(22(29)23-26-13-6-14-27-23)24(30)28(20-9-2-1-3-10-20)16-17-11-12-18-7-4-5-8-19(18)15-17/h1-15,21H,16H2.
What are the key properties of 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide has a molecular weight of 399.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 505007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).