N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide

C14H12F2N4O4 — CID 15956667

IUPACN-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(OC)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H12F2N4O4/c1-23-9-6-10(24-2)18-13(17-9)20-14(22)19-12(21)11-7(15)4-3-5-8(11)16/h3-6H,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyDCEFSMPBYUORLH-UHFFFAOYSA-N
MW338.27 g/mol
LogP1.73
Rot. Bonds4

About N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide

N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide (PubChem CID 15956667) has the molecular formula C14H12F2N4O4 and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
PubChem CID15956667
Molecular FormulaC14H12F2N4O4
Molecular Weight338.27 g/mol
Exact Mass338.08
IUPAC NameN-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(OC)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H12F2N4O4/c1-23-9-6-10(24-2)18-13(17-9)20-14(22)19-12(21)11-7(15)4-3-5-8(11)16/h3-6H,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyDCEFSMPBYUORLH-UHFFFAOYSA-N
XLogP1.73
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
CID 749283
4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698519
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamide
CID 749282
N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
CID 2322521
N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
CID 685677
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
CID 1272740
4-chloro-N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamothioyl]-2-fluoro-benzamide
CID 16078345
2-(4,6-dimethoxypyrimidin-2-yl)-4H-isoquinoline-1,3-dione
CID 44265716
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
CID 134692036
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide (CID 15956667) is N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide is COc1cc(OC)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
The InChIKey is DCEFSMPBYUORLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O4/c1-23-9-6-10(24-2)18-13(17-9)20-14(22)19-12(21)11-7(15)4-3-5-8(11)16/h3-6H,1-2H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide?
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide has a molecular weight of 338.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 15956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).