N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide

C21H18F2N2O3 — CID 112990211

IUPACN-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1OC
InChIInChI=1S/C21H18F2N2O3/c1-27-18-11-6-13(12-19(18)28-2)21(26)25-15-9-7-14(8-10-15)24-20-16(22)4-3-5-17(20)23/h3-12,24H,1-2H3,(H,25,26)
InChIKeyMKOKPFQHGIEPAS-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.98
Rot. Bonds6

About N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide

N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide (PubChem CID 112990211) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
PubChem CID112990211
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC NameN-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1OC
InChIInChI=1S/C21H18F2N2O3/c1-27-18-11-6-13(12-19(18)28-2)21(26)25-15-9-7-14(8-10-15)24-20-16(22)4-3-5-17(20)23/h3-12,24H,1-2H3,(H,25,26)
InChIKeyMKOKPFQHGIEPAS-UHFFFAOYSA-N
XLogP4.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178658
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide (CID 112990211) is N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1OC.
What is the InChIKey of N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is MKOKPFQHGIEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-27-18-11-6-13(12-19(18)28-2)21(26)25-15-9-7-14(8-10-15)24-20-16(22)4-3-5-17(20)23/h3-12,24H,1-2H3,(H,25,26).
What are the key properties of N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide?
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 384.38 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 112990211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).