N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide

C19H14ClN5O5 — CID 14207780

IUPACN-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide
SMILESCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ccc(Cl)nn1
InChIInChI=1S/C19H14ClN5O5/c1-11-6-7-12(10-15(11)30-17-9-8-16(20)23-24-17)21-19(27)22-18(26)13-4-2-3-5-14(13)25(28)29/h2-10H,1H3,(H2,21,22,26,27)
InChIKeyICFNFXPFHSXKBT-UHFFFAOYSA-N
MW427.80 g/mol
LogP4.10
Rot. Bonds5

About N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide

N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide (PubChem CID 14207780) has the molecular formula C19H14ClN5O5 and a molecular weight of 427.80 g/mol. Its IUPAC name is N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide
PubChem CID14207780
Molecular FormulaC19H14ClN5O5
Molecular Weight427.80 g/mol
Exact Mass427.07
IUPAC NameN-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide
SMILESCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ccc(Cl)nn1
InChIInChI=1S/C19H14ClN5O5/c1-11-6-7-12(10-15(11)30-17-9-8-16(20)23-24-17)21-19(27)22-18(26)13-4-2-3-5-14(13)25(28)29/h2-10H,1H3,(H2,21,22,26,27)
InChIKeyICFNFXPFHSXKBT-UHFFFAOYSA-N
XLogP4.10
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539
propan-2-yl N-[3-chloro-4-(6-chloropyridazin-3-yl)oxy-N-[(2-nitrobenzoyl)carbamoyl]anilino]sulfanyl-N-methylcarbamate
CID 15132502
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
ethyl N-(2-nitrobenzoyl)carbamate
CID 154155950
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
2-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 924125
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-chloro-4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 2297065
2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
CID 60567354
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide?
The IUPAC name of N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide (CID 14207780) is N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide.
What is the SMILES notation for N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide?
The canonical SMILES for N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide is Cc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ccc(Cl)nn1.
What is the InChIKey of N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide?
The InChIKey is ICFNFXPFHSXKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O5/c1-11-6-7-12(10-15(11)30-17-9-8-16(20)23-24-17)21-19(27)22-18(26)13-4-2-3-5-14(13)25(28)29/h2-10H,1H3,(H2,21,22,26,27).
What are the key properties of N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide?
N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide has a molecular weight of 427.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-chloropyridazin-3-yl)oxy-4-methylphenyl]carbamoyl]-2-nitrobenzamide is sourced from PubChem (CID 14207780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).