3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide

C15H15N3O5 — CID 142621755

IUPAC3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H15N3O5/c1-23-17-15(20)10-3-2-4-12(7-10)16-9-11-8-13(18(21)22)5-6-14(11)19/h2-8,16,19H,9H2,1H3,(H,17,20)
InChIKeyWPNBKXPYPRMSFN-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.20
Rot. Bonds6

About 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide

3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide (PubChem CID 142621755) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide
PubChem CID142621755
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H15N3O5/c1-23-17-15(20)10-3-2-4-12(7-10)16-9-11-8-13(18(21)22)5-6-14(11)19/h2-8,16,19H,9H2,1H3,(H,17,20)
InChIKeyWPNBKXPYPRMSFN-UHFFFAOYSA-N
XLogP2.20
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
2-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methylamino]benzoic acid
CID 174571987
2-(2-hydroxy-5-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 10038657
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
2-methoxy-6-[(3-nitroanilino)methyl]phenol
CID 5140432
3-[(2-chloro-5-nitrophenyl)methylamino]phenol
CID 43462347
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide
CID 10447743
1-(3-nitroanilino)propan-2-one
CID 141021170
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
N-[[2-(methoxymethyl)-4-nitrophenyl]methyl]aniline
CID 66836115
2-[(2-chloroanilino)methyl]-4-nitrophenol
CID 142621653
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide?
The IUPAC name of 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide (CID 142621755) is 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide.
What is the SMILES notation for 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide?
The canonical SMILES for 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide is CONC(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide?
The InChIKey is WPNBKXPYPRMSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-23-17-15(20)10-3-2-4-12(7-10)16-9-11-8-13(18(21)22)5-6-14(11)19/h2-8,16,19H,9H2,1H3,(H,17,20).
What are the key properties of 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide?
3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide has a molecular weight of 317.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide is sourced from PubChem (CID 142621755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).