2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide

C15H11Cl2FN2O3 — CID 46404947

IUPAC2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FN2O3/c1-19(8-9-3-2-4-10(5-9)20(22)23)15(21)11-6-14(18)13(17)7-12(11)16/h2-7H,8H2,1H3
InChIKeyQQEGPYWQHNXVIZ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.31
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide

2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide (PubChem CID 46404947) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
PubChem CID46404947
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FN2O3/c1-19(8-9-3-2-4-10(5-9)20(22)23)15(21)11-6-14(18)13(17)7-12(11)16/h2-7H,8H2,1H3
InChIKeyQQEGPYWQHNXVIZ-UHFFFAOYSA-N
XLogP4.31
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
CID 106686292
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18288270
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937
methyl 4-[[(2,4-dichloro-5-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37415657
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide (CID 46404947) is 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide?
The InChIKey is QQEGPYWQHNXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c1-19(8-9-3-2-4-10(5-9)20(22)23)15(21)11-6-14(18)13(17)7-12(11)16/h2-7H,8H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide?
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide has a molecular weight of 357.17 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 46404947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).