2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide

C22H18F2N2O4 — CID 15452397

IUPAC2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2OC)cc1
InChIInChI=1S/C22H18F2N2O4/c1-29-15-9-6-13(7-10-15)16-11-8-14(12-19(16)30-2)25-22(28)26-21(27)20-17(23)4-3-5-18(20)24/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyOEBKGMPFZGMZAR-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.61
Rot. Bonds5

About 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide (PubChem CID 15452397) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
PubChem CID15452397
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2OC)cc1
InChIInChI=1S/C22H18F2N2O4/c1-29-15-9-6-13(7-10-15)16-11-8-14(12-19(16)30-2)25-22(28)26-21(27)20-17(23)4-3-5-18(20)24/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyOEBKGMPFZGMZAR-UHFFFAOYSA-N
XLogP4.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134097670
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134104722
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100483
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100481
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide (CID 15452397) is 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide is COc1ccc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2OC)cc1.
What is the InChIKey of 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide?
The InChIKey is OEBKGMPFZGMZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c1-29-15-9-6-13(7-10-15)16-11-8-14(12-19(16)30-2)25-22(28)26-21(27)20-17(23)4-3-5-18(20)24/h3-12H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide has a molecular weight of 412.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 15452397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).