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

C20H16F2N4O5 — CID 141254822

IUPACN-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(OC)nc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)n1
InChIInChI=1S/C20H16F2N4O5/c1-29-15-10-16(30-2)25-20(24-15)31-12-8-6-11(7-9-12)23-19(28)26-18(27)17-13(21)4-3-5-14(17)22/h3-10H,1-2H3,(H2,23,26,27,28)
InChIKeyYSYVMBNFVJKRGJ-UHFFFAOYSA-N
MW430.37 g/mol
LogP3.53
Rot. Bonds6

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

N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 141254822) has the molecular formula C20H16F2N4O5 and a molecular weight of 430.37 g/mol. Its IUPAC name is N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID141254822
Molecular FormulaC20H16F2N4O5
Molecular Weight430.37 g/mol
Exact Mass430.11
IUPAC NameN-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(OC)nc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)n1
InChIInChI=1S/C20H16F2N4O5/c1-29-15-10-16(30-2)25-20(24-15)31-12-8-6-11(7-9-12)23-19(28)26-18(27)17-13(21)4-3-5-14(17)22/h3-10H,1-2H3,(H2,23,26,27,28)
InChIKeyYSYVMBNFVJKRGJ-UHFFFAOYSA-N
XLogP3.53
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamothioyl]-4-fluorobenzamide
CID 141254802
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
4-chloro-N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamothioyl]benzamide
CID 141254821
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524560
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide (CID 141254822) is N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide is COc1cc(OC)nc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)n1.
What is the InChIKey of N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is YSYVMBNFVJKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O5/c1-29-15-10-16(30-2)25-20(24-15)31-12-8-6-11(7-9-12)23-19(28)26-18(27)17-13(21)4-3-5-14(17)22/h3-10H,1-2H3,(H2,23,26,27,28).
What are the key properties of N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 430.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 141254822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).