3-amino-5-nitro-N-(2-phenoxyethyl)benzamide

C15H15N3O4 — CID 143923153

IUPAC3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
SMILESNc1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c16-12-8-11(9-13(10-12)18(20)21)15(19)17-6-7-22-14-4-2-1-3-5-14/h1-5,8-10H,6-7,16H2,(H,17,19)
InChIKeyRZFSBQCBUFLGKQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide

3-amino-5-nitro-N-(2-phenoxyethyl)benzamide (PubChem CID 143923153) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
PubChem CID143923153
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
SMILESNc1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c16-12-8-11(9-13(10-12)18(20)21)15(19)17-6-7-22-14-4-2-1-3-5-14/h1-5,8-10H,6-7,16H2,(H,17,19)
InChIKeyRZFSBQCBUFLGKQ-UHFFFAOYSA-N
XLogP1.99
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-amino-5-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 143923107
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
ethyl 3-[2-(4-ethoxyphenoxy)ethylcarbamoyl]-5-nitrobenzoate
CID 9022612
3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554
N-[2-(2-chlorophenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158874069
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
5-nitro-1-N,3-N-bis[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzene-1,3-dicarboxamide
CID 3900364
phenyl 2-[(3,5-dinitrobenzoyl)amino]acetate
CID 19895552

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide (CID 143923153) is 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide is Nc1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide?
The InChIKey is RZFSBQCBUFLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-12-8-11(9-13(10-12)18(20)21)15(19)17-6-7-22-14-4-2-1-3-5-14/h1-5,8-10H,6-7,16H2,(H,17,19).
What are the key properties of 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide?
3-amino-5-nitro-N-(2-phenoxyethyl)benzamide has a molecular weight of 301.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-nitro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 143923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).