3,4-dimethoxy-5-nitro-N-phenylbenzamide

C15H14N2O5 — CID 19743065

IUPAC3,4-dimethoxy-5-nitro-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H14N2O5/c1-21-13-9-10(8-12(17(19)20)14(13)22-2)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18)
InChIKeyUSHPLEZYFXNZTP-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.86
Rot. Bonds5

About 3,4-dimethoxy-5-nitro-N-phenylbenzamide

3,4-dimethoxy-5-nitro-N-phenylbenzamide (PubChem CID 19743065) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3,4-dimethoxy-5-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-nitro-N-phenylbenzamide
PubChem CID19743065
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name3,4-dimethoxy-5-nitro-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H14N2O5/c1-21-13-9-10(8-12(17(19)20)14(13)22-2)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18)
InChIKeyUSHPLEZYFXNZTP-UHFFFAOYSA-N
XLogP2.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
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'}

Analyze 3,4-dimethoxy-5-nitro-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
(3-amino-4,5-dimethoxyphenyl)-phenylmethanone;(3,4-dimethoxy-5-nitrophenyl)-phenylmethanone
CID 159399191
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2896473
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
N-(4-methoxy-3,5-dinitrophenyl)-3,4-dimethylbenzamide
CID 17050362
3-(3,4-dimethoxy-5-nitrophenyl)-3-oxopropanoate
CID 21459038
3,4,5-trimethoxy-N-[2-nitro-4-(3,4,5-trimethoxyphenyl)phenyl]benzamide
CID 56945197

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-nitro-N-phenylbenzamide?
The IUPAC name of 3,4-dimethoxy-5-nitro-N-phenylbenzamide (CID 19743065) is 3,4-dimethoxy-5-nitro-N-phenylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-5-nitro-N-phenylbenzamide?
The canonical SMILES for 3,4-dimethoxy-5-nitro-N-phenylbenzamide is COc1cc(C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1OC.
What is the InChIKey of 3,4-dimethoxy-5-nitro-N-phenylbenzamide?
The InChIKey is USHPLEZYFXNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-13-9-10(8-12(17(19)20)14(13)22-2)15(18)16-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-5-nitro-N-phenylbenzamide?
3,4-dimethoxy-5-nitro-N-phenylbenzamide has a molecular weight of 302.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-nitro-N-phenylbenzamide is sourced from PubChem (CID 19743065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).