N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide

C16H14ClN3O5 — CID 17424735

IUPACN-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5/c1-9(21)18-11-4-6-15(25-2)13(8-11)19-16(22)12-5-3-10(17)7-14(12)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyQKXTYLBLLUGYKQ-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.47
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide

N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide (PubChem CID 17424735) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
PubChem CID17424735
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5/c1-9(21)18-11-4-6-15(25-2)13(8-11)19-16(22)12-5-3-10(17)7-14(12)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyQKXTYLBLLUGYKQ-UHFFFAOYSA-N
XLogP3.47
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.47
H-Bond Donors ≤ 52
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

4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate
CID 55512261
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide (CID 17424735) is N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide is COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide?
The InChIKey is QKXTYLBLLUGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-9(21)18-11-4-6-15(25-2)13(8-11)19-16(22)12-5-3-10(17)7-14(12)20(23)24/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide?
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide has a molecular weight of 363.76 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide is sourced from PubChem (CID 17424735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).