4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide

C16H17N3O4 — CID 2960624

IUPAC4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O4/c1-23-15-8-2-12(3-9-15)16(20)18-11-10-17-13-4-6-14(7-5-13)19(21)22/h2-9,17H,10-11H2,1H3,(H,18,20)
InChIKeyZGHXUFXSKLWKHB-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.45
Rot. Bonds7

About 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide

4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide (PubChem CID 2960624) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
PubChem CID2960624
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O4/c1-23-15-8-2-12(3-9-15)16(20)18-11-10-17-13-4-6-14(7-5-13)19(21)22/h2-9,17H,10-11H2,1H3,(H,18,20)
InChIKeyZGHXUFXSKLWKHB-UHFFFAOYSA-N
XLogP2.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.45
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

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CID 48041
Encainide Hydrochloride
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4-Methoxy-N-(4-methoxyphenyl)benzamide
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4'-Methoxy-3-nitrobenzanilide
CID 306529
4-Methoxy-N-phenylbenzohydroxamic acid
CID 777378
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-Methoxy-N-(3-methylphenyl)benzamide
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4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide (CID 2960624) is 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide is COc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The InChIKey is ZGHXUFXSKLWKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-15-8-2-12(3-9-15)16(20)18-11-10-17-13-4-6-14(7-5-13)19(21)22/h2-9,17H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide has a molecular weight of 315.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 2960624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).