N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide

C21H18FN3O2 — CID 134191771

IUPACN-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide
SMILESCc1ncc(-c2ccc(F)c(CN(C)C(=O)c3ccccc3C=O)c2)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-23-10-18(11-24-14)15-7-8-20(22)17(9-15)12-25(2)21(27)19-6-4-3-5-16(19)13-26/h3-11,13H,12H2,1-2H3
InChIKeyIIMJYJNXBUHXFN-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.68
Rot. Bonds5

About N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide

N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide (PubChem CID 134191771) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide
PubChem CID134191771
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide
SMILESCc1ncc(-c2ccc(F)c(CN(C)C(=O)c3ccccc3C=O)c2)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-23-10-18(11-24-14)15-7-8-20(22)17(9-15)12-25(2)21(27)19-6-4-3-5-16(19)13-26/h3-11,13H,12H2,1-2H3
InChIKeyIIMJYJNXBUHXFN-UHFFFAOYSA-N
XLogP3.68
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-formyl-N-methyl-N-[[7-(5-methyl-3-pyridinyl)-4-oxo-3H-phthalazin-1-yl]methyl]benzamide
CID 156651119
methyl 3-[4-[[(2-formylbenzoyl)-methylamino]methyl]phenyl]benzoate
CID 142157717
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
CID 60959792
N-[[5-[4-(benzylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 68946867
N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 55579968
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide
CID 145417827
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide?
The IUPAC name of N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide (CID 134191771) is N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide.
What is the SMILES notation for N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide?
The canonical SMILES for N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide is Cc1ncc(-c2ccc(F)c(CN(C)C(=O)c3ccccc3C=O)c2)cn1.
What is the InChIKey of N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide?
The InChIKey is IIMJYJNXBUHXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-23-10-18(11-24-14)15-7-8-20(22)17(9-15)12-25(2)21(27)19-6-4-3-5-16(19)13-26/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide?
N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide has a molecular weight of 363.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]methyl]-2-formyl-N-methylbenzamide is sourced from PubChem (CID 134191771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).