4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide

C18H19N3O5 — CID 3323180

IUPAC4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C18H19N3O5/c1-18(2,3)17(24)19-12-6-4-11(5-7-12)16(23)20-14-10-13(21(25)26)8-9-15(14)22/h4-10,22H,1-3H3,(H,19,24)(H,20,23)
InChIKeyKQIGSECKWQNHKD-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.54
Rot. Bonds4

About 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide

4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 3323180) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID3323180
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C18H19N3O5/c1-18(2,3)17(24)19-12-6-4-11(5-7-12)16(23)20-14-10-13(21(25)26)8-9-15(14)22/h4-10,22H,1-3H3,(H,19,24)(H,20,23)
InChIKeyKQIGSECKWQNHKD-UHFFFAOYSA-N
XLogP3.54
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17100127
3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-nitrobenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyphenyl]-4-nitrobenzamide
CID 5122238
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17104146
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
3-(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide
CID 1369130
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 166392215

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 3323180) is 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide is CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is KQIGSECKWQNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-18(2,3)17(24)19-12-6-4-11(5-7-12)16(23)20-14-10-13(21(25)26)8-9-15(14)22/h4-10,22H,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide?
4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 3323180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).