N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide

C20H14Cl2N2O4 — CID 171677644

IUPACN-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H14Cl2N2O4/c21-15-4-9-19(22)14(10-15)12-23-20(25)13-2-1-3-18(11-13)28-17-7-5-16(6-8-17)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyFDTDHPWFPHVWHX-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.62
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide

N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide (PubChem CID 171677644) has the molecular formula C20H14Cl2N2O4 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide
PubChem CID171677644
Molecular FormulaC20H14Cl2N2O4
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H14Cl2N2O4/c21-15-4-9-19(22)14(10-15)12-23-20(25)13-2-1-3-18(11-13)28-17-7-5-16(6-8-17)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyFDTDHPWFPHVWHX-UHFFFAOYSA-N
XLogP5.62
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.62
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-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide 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

1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
3-(4-nitrophenoxy)benzoate
CID 3680439
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
CID 2989529
2-[4-[[3-(4-nitrophenoxy)benzoyl]amino]phenoxy]acetic acid
CID 17172355
4-[3-(3-chlorophenoxy)-5-nitrophenoxy]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 30449264
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
[4-(4-nitrophenoxy)phenyl]methyl 3-chlorobenzoate
CID 126185931
[3-(4-nitrophenoxy)phenyl]methyl 2-(4-chlorophenyl)acetate
CID 126182645
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
CID 88696344

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide (CID 171677644) is N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide is O=C(NCc1cc(Cl)ccc1Cl)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide?
The InChIKey is FDTDHPWFPHVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4/c21-15-4-9-19(22)14(10-15)12-23-20(25)13-2-1-3-18(11-13)28-17-7-5-16(6-8-17)24(26)27/h1-11H,12H2,(H,23,25).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide?
N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide has a molecular weight of 417.25 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 171677644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).