3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide

C19H15FN4O2 — CID 166321402

IUPAC3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)Nc2ccnc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H15FN4O2/c20-15-7-6-13(18(21)25)11-14(15)19(26)24-16-8-9-22-17(23-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,25)(H,22,23,24,26)
InChIKeyCOJQBSNHQUNYOP-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.56
Rot. Bonds5

About 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide

3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166321402) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166321402
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)Nc2ccnc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H15FN4O2/c20-15-7-6-13(18(21)25)11-14(15)19(26)24-16-8-9-22-17(23-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,25)(H,22,23,24,26)
InChIKeyCOJQBSNHQUNYOP-UHFFFAOYSA-N
XLogP2.56
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
CID 100753605
N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide
CID 166216340
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285299
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
3-benzylbenzamide;hydrochloride
CID 159409318
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
CID 71848765
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide (CID 166321402) is 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide is NC(=O)c1ccc(F)c(C(=O)Nc2ccnc(Cc3ccccc3)n2)c1.
What is the InChIKey of 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is COJQBSNHQUNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-15-7-6-13(18(21)25)11-14(15)19(26)24-16-8-9-22-17(23-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,21,25)(H,22,23,24,26).
What are the key properties of 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide?
3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 350.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166321402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).