[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid

C14H11N3O5 — CID 69256902

IUPAC[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O5/c18-13(9-5-1-4-8-12(9)17(21)22)15-10-6-2-3-7-11(10)16-14(19)20/h1-8,16H,(H,15,18)(H,19,20)
InChIKeyZYKVYZSJHMWYPO-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.94
Rot. Bonds4

About [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid

[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid (PubChem CID 69256902) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
PubChem CID69256902
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O5/c18-13(9-5-1-4-8-12(9)17(21)22)15-10-6-2-3-7-11(10)16-14(19)20/h1-8,16H,(H,15,18)(H,19,20)
InChIKeyZYKVYZSJHMWYPO-UHFFFAOYSA-N
XLogP2.94
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341

Frequently Asked Questions

What is the IUPAC name of [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid?
The IUPAC name of [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid (CID 69256902) is [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid?
The canonical SMILES for [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid is O=C(O)Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid?
The InChIKey is ZYKVYZSJHMWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-13(9-5-1-4-8-12(9)17(21)22)15-10-6-2-3-7-11(10)16-14(19)20/h1-8,16H,(H,15,18)(H,19,20).
What are the key properties of [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid?
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid has a molecular weight of 301.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 69256902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).