2-(N-benzoyl-3-nitroanilino)acetic acid

C15H12N2O5 — CID 14484971

IUPAC2-(N-benzoyl-3-nitroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c18-14(19)10-16(15(20)11-5-2-1-3-6-11)12-7-4-8-13(9-12)17(21)22/h1-9H,10H2,(H,18,19)
InChIKeyFTYMQXKRULTMEE-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.33
Rot. Bonds5

About 2-(N-benzoyl-3-nitroanilino)acetic acid

2-(N-benzoyl-3-nitroanilino)acetic acid (PubChem CID 14484971) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(N-benzoyl-3-nitroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-benzoyl-3-nitroanilino)acetic acid
PubChem CID14484971
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-(N-benzoyl-3-nitroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c18-14(19)10-16(15(20)11-5-2-1-3-6-11)12-7-4-8-13(9-12)17(21)22/h1-9H,10H2,(H,18,19)
InChIKeyFTYMQXKRULTMEE-UHFFFAOYSA-N
XLogP2.33
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
2-[carboxymethyl-(3-nitrobenzoyl)amino]acetic acid
CID 63651373
2-[N-(2-methylpropyl)-3-nitroanilino]acetic acid
CID 63064488
3-[carboxymethyl-(3-nitrobenzoyl)amino]propanoic acid
CID 82326044
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
methyl 2-(3-nitro-N-(2,2,2-trifluoroacetyl)anilino)acetate
CID 121223954
N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
CID 19211365
(N-(3-nitrobenzoyl)anilino) acetate
CID 132609377
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzoyl-3-nitroanilino)acetic acid?
The IUPAC name of 2-(N-benzoyl-3-nitroanilino)acetic acid (CID 14484971) is 2-(N-benzoyl-3-nitroanilino)acetic acid.
What is the SMILES notation for 2-(N-benzoyl-3-nitroanilino)acetic acid?
The canonical SMILES for 2-(N-benzoyl-3-nitroanilino)acetic acid is O=C(O)CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(N-benzoyl-3-nitroanilino)acetic acid?
The InChIKey is FTYMQXKRULTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-14(19)10-16(15(20)11-5-2-1-3-6-11)12-7-4-8-13(9-12)17(21)22/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(N-benzoyl-3-nitroanilino)acetic acid?
2-(N-benzoyl-3-nitroanilino)acetic acid has a molecular weight of 300.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzoyl-3-nitroanilino)acetic acid is sourced from PubChem (CID 14484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).