N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide

C16H15F2N3O5 — CID 25348553

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15F2N3O5/c1-19-11-5-3-9(7-12(11)21(23)24)15(22)20-10-4-6-13(25-2)14(8-10)26-16(17)18/h3-8,16,19H,1-2H3,(H,20,22)
InChIKeyBHZLWJFNYYSZAL-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.50
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide (PubChem CID 25348553) has the molecular formula C16H15F2N3O5 and a molecular weight of 367.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
PubChem CID25348553
Molecular FormulaC16H15F2N3O5
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15F2N3O5/c1-19-11-5-3-9(7-12(11)21(23)24)15(22)20-10-4-6-13(25-2)14(8-10)26-16(17)18/h3-8,16,19H,1-2H3,(H,20,22)
InChIKeyBHZLWJFNYYSZAL-UHFFFAOYSA-N
XLogP3.50
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-(methylamino)-3-nitrobenzamide
CID 46674453
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
methyl 3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 38082437
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
4-amino-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-nitrobenzamide
CID 37040670
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide (CID 25348553) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide is CNc1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The InChIKey is BHZLWJFNYYSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O5/c1-19-11-5-3-9(7-12(11)21(23)24)15(22)20-10-4-6-13(25-2)14(8-10)26-16(17)18/h3-8,16,19H,1-2H3,(H,20,22).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide has a molecular weight of 367.31 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 25348553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).