2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide

C15H16ClFN4O — CID 72718413

IUPAC2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
SMILESCc1cc(CNC(=O)c2c(F)cccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C15H16ClFN4O/c1-9-7-10(20-15(19-9)21(2)3)8-18-14(22)13-11(16)5-4-6-12(13)17/h4-7H,8H2,1-3H3,(H,18,22)
InChIKeyQDVKRYWFQSKSHX-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide (PubChem CID 72718413) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
PubChem CID72718413
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
SMILESCc1cc(CNC(=O)c2c(F)cccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C15H16ClFN4O/c1-9-7-10(20-15(19-9)21(2)3)8-18-14(22)13-11(16)5-4-6-12(13)17/h4-7H,8H2,1-3H3,(H,18,22)
InChIKeyQDVKRYWFQSKSHX-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
3-(2-chlorophenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122354190
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-nitrobenzamide
CID 122354201
2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
CID 71808581
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
CID 122254715
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide (CID 72718413) is 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide is Cc1cc(CNC(=O)c2c(F)cccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide?
The InChIKey is QDVKRYWFQSKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c1-9-7-10(20-15(19-9)21(2)3)8-18-14(22)13-11(16)5-4-6-12(13)17/h4-7H,8H2,1-3H3,(H,18,22).
What are the key properties of 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide?
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide has a molecular weight of 322.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 72718413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).