N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide

C20H15ClN2O5 — CID 26267184

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H15ClN2O5/c1-27-14-7-9-15(10-8-14)28-19-11-6-13(21)12-17(19)22-20(24)16-4-2-3-5-18(16)23(25)26/h2-12H,1H3,(H,22,24)
InChIKeyMRMHMYCMZCPRCC-UHFFFAOYSA-N
MW398.80 g/mol
LogP5.30
Rot. Bonds6

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide (PubChem CID 26267184) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
PubChem CID26267184
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H15ClN2O5/c1-27-14-7-9-15(10-8-14)28-19-11-6-13(21)12-17(19)22-20(24)16-4-2-3-5-18(16)23(25)26/h2-12H,1H3,(H,22,24)
InChIKeyMRMHMYCMZCPRCC-UHFFFAOYSA-N
XLogP5.30
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.80
LogP ≤ 55.30
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 N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide 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

4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-nitro-4-phenylsulfanylbenzamide
CID 2461554
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-[4-(4-tert-butylphenoxy)-2-chlorophenyl]-2-nitrobenzamide
CID 71322404
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 17424735

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide (CID 26267184) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide?
The InChIKey is MRMHMYCMZCPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c1-27-14-7-9-15(10-8-14)28-19-11-6-13(21)12-17(19)22-20(24)16-4-2-3-5-18(16)23(25)26/h2-12H,1H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide has a molecular weight of 398.80 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 26267184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).