N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide

C18H19N3O5 — CID 55606845

IUPACN-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-12(5-7-13)18(23)20-15-10-14(21(24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyURZWVXWOCFNMKB-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.45
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide

N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 55606845) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID55606845
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-12(5-7-13)18(23)20-15-10-14(21(24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyURZWVXWOCFNMKB-UHFFFAOYSA-N
XLogP3.45
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.45
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

N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
N-[4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23098524
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 2117709
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide (CID 55606845) is N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is URZWVXWOCFNMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11(2)17(22)19-13-6-4-12(5-7-13)18(23)20-15-10-14(21(24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide?
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 55606845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).