N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

C17H18N4O5 — CID 9399328

IUPACN-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O5/c1-26-9-8-19-14-7-6-11(10-15(14)21(24)25)17(23)20-13-5-3-2-4-12(13)16(18)22/h2-7,10,19H,8-9H2,1H3,(H2,18,22)(H,20,23)
InChIKeyVDMVREYRQODAQV-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.00
Rot. Bonds8

About N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 9399328) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID9399328
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O5/c1-26-9-8-19-14-7-6-11(10-15(14)21(24)25)17(23)20-13-5-3-2-4-12(13)16(18)22/h2-7,10,19H,8-9H2,1H3,(H2,18,22)(H,20,23)
InChIKeyVDMVREYRQODAQV-UHFFFAOYSA-N
XLogP2.00
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55538481
N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174875
4-(2-methoxyethylamino)-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55919689
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 9399328) is N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is VDMVREYRQODAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-26-9-8-19-14-7-6-11(10-15(14)21(24)25)17(23)20-13-5-3-2-4-12(13)16(18)22/h2-7,10,19H,8-9H2,1H3,(H2,18,22)(H,20,23).
What are the key properties of N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 358.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 9399328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).