4-amino-N-ethyl-3-nitro-N-phenylbenzamide

C15H15N3O3 — CID 60650996

IUPAC4-amino-N-ethyl-3-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-2-17(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(10-11)18(20)21/h3-10H,2,16H2,1H3
InChIKeyOMTLVFUBIWLEAQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-N-ethyl-3-nitro-N-phenylbenzamide

4-amino-N-ethyl-3-nitro-N-phenylbenzamide (PubChem CID 60650996) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-nitro-N-phenylbenzamide
PubChem CID60650996
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-ethyl-3-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-2-17(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(10-11)18(20)21/h3-10H,2,16H2,1H3
InChIKeyOMTLVFUBIWLEAQ-UHFFFAOYSA-N
XLogP2.84
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
N-[2-(dimethylamino)ethyl]-3,4-dinitro-N-phenylbenzamide
CID 54488219
ethyl 3-[ethyl(phenyl)carbamoyl]-5-nitrobenzoate
CID 18190788
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 109388408
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-3-nitrobenzamide
CID 63727577
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417
4-amino-N-(2-cyanoethyl)-N-ethyl-3-nitrobenzamide
CID 62161602
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
bis(4-amino-3-nitrophenyl)methanone;dihydrochloride
CID 143823291
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-nitro-N-phenylbenzamide?
The IUPAC name of 4-amino-N-ethyl-3-nitro-N-phenylbenzamide (CID 60650996) is 4-amino-N-ethyl-3-nitro-N-phenylbenzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-nitro-N-phenylbenzamide?
The canonical SMILES for 4-amino-N-ethyl-3-nitro-N-phenylbenzamide is CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 4-amino-N-ethyl-3-nitro-N-phenylbenzamide?
The InChIKey is OMTLVFUBIWLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-17(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(10-11)18(20)21/h3-10H,2,16H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-nitro-N-phenylbenzamide?
4-amino-N-ethyl-3-nitro-N-phenylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-nitro-N-phenylbenzamide is sourced from PubChem (CID 60650996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).