N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide

C17H16N4O5 — CID 26679344

IUPACN-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16N4O5/c1-18-16(23)11-5-7-13(8-6-11)20-15(22)10-19-17(24)12-3-2-4-14(9-12)21(25)26/h2-9H,10H2,1H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyBQHBQVIQSKNVIR-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide

N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 26679344) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
PubChem CID26679344
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16N4O5/c1-18-16(23)11-5-7-13(8-6-11)20-15(22)10-19-17(24)12-3-2-4-14(9-12)21(25)26/h2-9H,10H2,1H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyBQHBQVIQSKNVIR-UHFFFAOYSA-N
XLogP1.32
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.32
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-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 34394010
N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]-3-nitrobenzamide
CID 55346094
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 17218194
N-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 112768614
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4926283
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide (CID 26679344) is N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide is CNC(=O)c1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is BQHBQVIQSKNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-18-16(23)11-5-7-13(8-6-11)20-15(22)10-19-17(24)12-3-2-4-14(9-12)21(25)26/h2-9H,10H2,1H3,(H,18,23)(H,19,24)(H,20,22).
What are the key properties of N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 356.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 26679344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).