2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide

C14H10Cl2N2O3 — CID 51289387

IUPAC2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-6-12(13(16)7-10)14(19)17-8-9-1-4-11(5-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQTQQBIBQZBYXAX-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.83
Rot. Bonds4

About 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide

2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide (PubChem CID 51289387) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
PubChem CID51289387
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-6-12(13(16)7-10)14(19)17-8-9-1-4-11(5-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQTQQBIBQZBYXAX-UHFFFAOYSA-N
XLogP3.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-4-nitrobenzamide
CID 27677741
2-chloro-4-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8532984
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide (CID 51289387) is 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is QTQQBIBQZBYXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-10-3-6-12(13(16)7-10)14(19)17-8-9-1-4-11(5-2-9)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide?
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 325.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 51289387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).