N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide

C24H24N4O4 — CID 38809102

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1)C(C)=O
InChIInChI=1S/C24H24N4O4/c1-3-27(17(2)29)16-18-8-7-11-21(14-18)26-24(30)19-12-13-22(23(15-19)28(31)32)25-20-9-5-4-6-10-20/h4-15,25H,3,16H2,1-2H3,(H,26,30)
InChIKeyVMLIHJICCFUMCF-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.96
Rot. Bonds8

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide (PubChem CID 38809102) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide
PubChem CID38809102
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1)C(C)=O
InChIInChI=1S/C24H24N4O4/c1-3-27(17(2)29)16-18-8-7-11-21(14-18)26-24(30)19-12-13-22(23(15-19)28(31)32)25-20-9-5-4-6-10-20/h4-15,25H,3,16H2,1-2H3,(H,26,30)
InChIKeyVMLIHJICCFUMCF-UHFFFAOYSA-N
XLogP4.96
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
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

4-(cyclopropylamino)-N-[3-(diethylaminomethyl)phenyl]-3-nitrobenzamide
CID 46413061
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
N-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636
4-anilino-3-nitrobenzoic acid
CID 3824366
4-(benzylamino)-N-(3-fluorophenyl)-3-nitrobenzamide
CID 9412693
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 34332556

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide (CID 38809102) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide is CCN(Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide?
The InChIKey is VMLIHJICCFUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-27(17(2)29)16-18-8-7-11-21(14-18)26-24(30)19-12-13-22(23(15-19)28(31)32)25-20-9-5-4-6-10-20/h4-15,25H,3,16H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide has a molecular weight of 432.48 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide is sourced from PubChem (CID 38809102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).