N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide

C20H14BrN3O5 — CID 73050981

IUPACN-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H14BrN3O5/c21-12-4-3-5-13(10-12)22-19(26)15-6-1-2-7-17(15)23-20(27)16-11-14(24(28)29)8-9-18(16)25/h1-11,25H,(H,22,26)(H,23,27)
InChIKeyIKPCIGHLSGVAHY-UHFFFAOYSA-N
MW456.25 g/mol
LogP4.57
Rot. Bonds5

About N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide

N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide (PubChem CID 73050981) has the molecular formula C20H14BrN3O5 and a molecular weight of 456.25 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide
PubChem CID73050981
Molecular FormulaC20H14BrN3O5
Molecular Weight456.25 g/mol
Exact Mass455.01
IUPAC NameN-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H14BrN3O5/c21-12-4-3-5-13(10-12)22-19(26)15-6-1-2-7-17(15)23-20(27)16-11-14(24(28)29)8-9-18(16)25/h1-11,25H,(H,22,26)(H,23,27)
InChIKeyIKPCIGHLSGVAHY-UHFFFAOYSA-N
XLogP4.57
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.25
LogP ≤ 54.57
H-Bond Donors ≤ 53
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

2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide (CID 73050981) is N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide is O=C(Nc1ccccc1C(=O)Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide?
The InChIKey is IKPCIGHLSGVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O5/c21-12-4-3-5-13(10-12)22-19(26)15-6-1-2-7-17(15)23-20(27)16-11-14(24(28)29)8-9-18(16)25/h1-11,25H,(H,22,26)(H,23,27).
What are the key properties of N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide?
N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide has a molecular weight of 456.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)carbamoyl]phenyl]-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 73050981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).