N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide

C21H19FN4O2 — CID 174654358

IUPACN-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1.NC(=O)C=Cc1cncnc1
InChIInChI=1S/C14H12FNO.C7H7N3O/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13;8-7(11)2-1-6-3-9-5-10-4-6/h2-9H,1H3,(H,16,17);1-5H,(H2,8,11)
InChIKeyBHLVSSTUDYRXPF-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.36
Rot. Bonds4

About N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide

N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide (PubChem CID 174654358) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide
PubChem CID174654358
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1.NC(=O)C=Cc1cncnc1
InChIInChI=1S/C14H12FNO.C7H7N3O/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13;8-7(11)2-1-6-3-9-5-10-4-6/h2-9H,1H3,(H,16,17);1-5H,(H2,8,11)
InChIKeyBHLVSSTUDYRXPF-UHFFFAOYSA-N
XLogP3.36
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[4-methyl-3-(3-pyrimidin-5-ylprop-2-enoylamino)phenyl]benzamide
CID 67494450
4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174709439
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174642582

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide?
The IUPAC name of N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide (CID 174654358) is N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide is Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1.NC(=O)C=Cc1cncnc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide?
The InChIKey is BHLVSSTUDYRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO.C7H7N3O/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13;8-7(11)2-1-6-3-9-5-10-4-6/h2-9H,1H3,(H,16,17);1-5H,(H2,8,11).
What are the key properties of N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide?
N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide has a molecular weight of 378.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methylbenzamide;3-pyrimidin-5-ylprop-2-enamide is sourced from PubChem (CID 174654358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).