4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide

C19H17N3O3 — CID 26087424

IUPAC4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3/c1-2-20-17-10-8-15(12-18(17)22(24)25)19(23)21-16-9-7-13-5-3-4-6-14(13)11-16/h3-12,20H,2H2,1H3,(H,21,23)
InChIKeyZAZPRHDICYQNCS-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.43
Rot. Bonds5

About 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide

4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide (PubChem CID 26087424) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
PubChem CID26087424
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3/c1-2-20-17-10-8-15(12-18(17)22(24)25)19(23)21-16-9-7-13-5-3-4-6-14(13)11-16/h3-12,20H,2H2,1H3,(H,21,23)
InChIKeyZAZPRHDICYQNCS-UHFFFAOYSA-N
XLogP4.43
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.43
H-Bond Donors ≤ 52
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

4-(2-cyanoethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 9107631
N-naphthalen-2-yl-3-nitro-4-[[(2S)-oxolan-2-yl]methylamino]benzamide
CID 9187125
4-[bis(2-methoxyethyl)amino]-N-naphthalen-2-yl-3-nitrobenzamide
CID 9280833
4-(benzylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide;4-(ethylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide;N-(3-methoxyphenyl)-3-nitro-4-(propylamino)benzamide
CID 159232431
4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 26362764
4-(ethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115666689
4-(ethylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623814
4-ethoxy-N-(naphthalen-2-ylcarbamothioyl)-3-nitrobenzamide
CID 1339508
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide (CID 26087424) is 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide is CCNc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide?
The InChIKey is ZAZPRHDICYQNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-20-17-10-8-15(12-18(17)22(24)25)19(23)21-16-9-7-13-5-3-4-6-14(13)11-16/h3-12,20H,2H2,1H3,(H,21,23).
What are the key properties of 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide?
4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide has a molecular weight of 335.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide is sourced from PubChem (CID 26087424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).