N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide

C20H19FN4O2 — CID 122322627

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
SMILESCN(C)c1ccnc(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H19FN4O2/c1-25(2)19-10-11-22-18(24-19)13-23-20(26)14-4-3-5-17(12-14)27-16-8-6-15(21)7-9-16/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyDLLWQNFYTSIMTB-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.40
Rot. Bonds6

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide (PubChem CID 122322627) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
PubChem CID122322627
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
SMILESCN(C)c1ccnc(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H19FN4O2/c1-25(2)19-10-11-22-18(24-19)13-23-20(26)14-4-3-5-17(12-14)27-16-8-6-15(21)7-9-16/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyDLLWQNFYTSIMTB-UHFFFAOYSA-N
XLogP3.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
CID 99882923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide (CID 122322627) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide is CN(C)c1ccnc(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide?
The InChIKey is DLLWQNFYTSIMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25(2)19-10-11-22-18(24-19)13-23-20(26)14-4-3-5-17(12-14)27-16-8-6-15(21)7-9-16/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide is sourced from PubChem (CID 122322627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).