4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide

C15H12F2N2O6 — CID 17397142

IUPAC4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2O)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C15H12F2N2O6/c1-24-12-6-8(10(19(22)23)7-13(12)25-15(16)17)14(21)18-9-4-2-3-5-11(9)20/h2-7,15,20H,1H3,(H,18,21)
InChIKeyKUXAXZPQSMAKQU-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.16
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide

4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide (PubChem CID 17397142) has the molecular formula C15H12F2N2O6 and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
PubChem CID17397142
Molecular FormulaC15H12F2N2O6
Molecular Weight354.27 g/mol
Exact Mass354.07
IUPAC Name4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2O)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C15H12F2N2O6/c1-24-12-6-8(10(19(22)23)7-13(12)25-15(16)17)14(21)18-9-4-2-3-5-11(9)20/h2-7,15,20H,1H3,(H,18,21)
InChIKeyKUXAXZPQSMAKQU-UHFFFAOYSA-N
XLogP3.16
TPSA110.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 42158088
4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
CID 108744160
N-[(4-chlorophenyl)-phenylmethyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide
CID 46547937
4-(difluoromethoxy)-5-methoxy-2-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 42393819
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
4-(difluoromethoxy)-5-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)-2-nitrobenzohydrazide
CID 46672369
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 46675924
4-(difluoromethoxy)-5-methoxy-N-[2-(2-methylpropanoylamino)ethyl]-2-nitrobenzamide
CID 24666454
4-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)-2-nitrobenzamide
CID 46516267
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
4-(difluoromethoxy)-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-2-nitrobenzamide
CID 24654795
4-(difluoromethoxy)-N'-[2-(4-fluorophenyl)acetyl]-5-methoxy-2-nitrobenzohydrazide
CID 34569772

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide (CID 17397142) is 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide is COc1cc(C(=O)Nc2ccccc2O)c([N+](=O)[O-])cc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide?
The InChIKey is KUXAXZPQSMAKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O6/c1-24-12-6-8(10(19(22)23)7-13(12)25-15(16)17)14(21)18-9-4-2-3-5-11(9)20/h2-7,15,20H,1H3,(H,18,21).
What are the key properties of 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide?
4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide has a molecular weight of 354.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 17397142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).