N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide

C19H12Cl2N2O4 — CID 1321722

IUPACN-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12Cl2N2O4/c20-13-4-9-18(17(21)11-13)27-16-7-5-14(6-8-16)22-19(24)12-2-1-3-15(10-12)23(25)26/h1-11H,(H,22,24)
InChIKeyWJCQYGDPEBSKBZ-UHFFFAOYSA-N
MW403.22 g/mol
LogP5.95
Rot. Bonds5

About N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide

N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide (PubChem CID 1321722) has the molecular formula C19H12Cl2N2O4 and a molecular weight of 403.22 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
PubChem CID1321722
Molecular FormulaC19H12Cl2N2O4
Molecular Weight403.22 g/mol
Exact Mass402.02
IUPAC NameN-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12Cl2N2O4/c20-13-4-9-18(17(21)11-13)27-16-7-5-14(6-8-16)22-19(24)12-2-1-3-15(10-12)23(25)26/h1-11H,(H,22,24)
InChIKeyWJCQYGDPEBSKBZ-UHFFFAOYSA-N
XLogP5.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.22
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(2,4-dichlorophenoxy)phenyl]-3-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

N-(4-acetamidophenyl)-3-(2-chloro-4-nitrophenoxy)benzamide
CID 3859020
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313410
N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide
CID 133424446
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23096856
3-nitro-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952466
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3-nitrobenzamide
CID 42708263
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide (CID 1321722) is N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide?
The InChIKey is WJCQYGDPEBSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O4/c20-13-4-9-18(17(21)11-13)27-16-7-5-14(6-8-16)22-19(24)12-2-1-3-15(10-12)23(25)26/h1-11H,(H,22,24).
What are the key properties of N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide?
N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide has a molecular weight of 403.22 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 1321722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).