2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide

C19H14ClN3O4 — CID 60581315

IUPAC2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Oc1cccnc1
InChIInChI=1S/C19H14ClN3O4/c1-12-9-13(4-7-18(12)27-15-3-2-8-21-11-15)22-19(24)16-6-5-14(23(25)26)10-17(16)20/h2-11H,1H3,(H,22,24)
InChIKeyUUUPUEQYERDPRZ-UHFFFAOYSA-N
MW383.79 g/mol
LogP5.00
Rot. Bonds5

About 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide

2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide (PubChem CID 60581315) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
PubChem CID60581315
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Oc1cccnc1
InChIInChI=1S/C19H14ClN3O4/c1-12-9-13(4-7-18(12)27-15-3-2-8-21-11-15)22-19(24)16-6-5-14(23(25)26)10-17(16)20/h2-11H,1H3,(H,22,24)
InChIKeyUUUPUEQYERDPRZ-UHFFFAOYSA-N
XLogP5.00
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
N-[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-2-chloro-5-nitrobenzamide
CID 10322174
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 60581284
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide (CID 60581315) is 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide is Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Oc1cccnc1.
What is the InChIKey of 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide?
The InChIKey is UUUPUEQYERDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c1-12-9-13(4-7-18(12)27-15-3-2-8-21-11-15)22-19(24)16-6-5-14(23(25)26)10-17(16)20/h2-11H,1H3,(H,22,24).
What are the key properties of 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide?
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide has a molecular weight of 383.79 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 60581315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).