N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide

C20H16N4O5 — CID 21184645

IUPACN-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16N4O5/c25-18-12-14(24(28)29)10-11-17(18)23-20(27)22-16-9-5-4-8-15(16)21-19(26)13-6-2-1-3-7-13/h1-12,25H,(H,21,26)(H2,22,23,27)
InChIKeyAHDMWGMHGQJGHF-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.20
Rot. Bonds5

About N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide

N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide (PubChem CID 21184645) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
PubChem CID21184645
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16N4O5/c25-18-12-14(24(28)29)10-11-17(18)23-20(27)22-16-9-5-4-8-15(16)21-19(26)13-6-2-1-3-7-13/h1-12,25H,(H,21,26)(H2,22,23,27)
InChIKeyAHDMWGMHGQJGHF-UHFFFAOYSA-N
XLogP4.20
TPSA133.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.20
H-Bond Donors ≤ 54
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

1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
methyl 3-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108799749
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743838
1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
CID 57185381
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide (CID 21184645) is N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide?
The InChIKey is AHDMWGMHGQJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c25-18-12-14(24(28)29)10-11-17(18)23-20(27)22-16-9-5-4-8-15(16)21-19(26)13-6-2-1-3-7-13/h1-12,25H,(H,21,26)(H2,22,23,27).
What are the key properties of N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide?
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide has a molecular weight of 392.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 21184645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).