N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide

C17H17N3O5 — CID 17218194

IUPACN-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-25-10-9-18-16(21)12-5-7-14(8-6-12)19-17(22)13-3-2-4-15(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYUXQODNIZCBUEA-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.22
Rot. Bonds7

About N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide

N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide (PubChem CID 17218194) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
PubChem CID17218194
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-25-10-9-18-16(21)12-5-7-14(8-6-12)19-17(22)13-3-2-4-15(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYUXQODNIZCBUEA-UHFFFAOYSA-N
XLogP2.22
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
CID 26160071
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide
CID 26160705
3-nitro-N-(4-pentoxyphenyl)benzamide
CID 2281129
3-nitro-N-(4-propylphenyl)benzamide
CID 8803025

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide (CID 17218194) is N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide is COCCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide?
The InChIKey is YUXQODNIZCBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-10-9-18-16(21)12-5-7-14(8-6-12)19-17(22)13-3-2-4-15(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide?
N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylcarbamoyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 17218194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).