3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide

C14H10ClFN2O3 — CID 82776222

IUPAC3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2O3/c1-17(11-4-2-3-10(16)8-11)14(19)9-5-6-13(18(20)21)12(15)7-9/h2-8H,1H3
InChIKeyRVYJZFKAEDVVMO-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.66
Rot. Bonds3

About 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide

3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide (PubChem CID 82776222) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
PubChem CID82776222
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H10ClFN2O3/c1-17(11-4-2-3-10(16)8-11)14(19)9-5-6-13(18(20)21)12(15)7-9/h2-8H,1H3
InChIKeyRVYJZFKAEDVVMO-UHFFFAOYSA-N
XLogP3.66
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
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

3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-chloro-N-methyl-4-nitro-N-propan-2-ylbenzamide
CID 82781173
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 82780349
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
3-chloro-N-[3-(dimethylamino)propyl]-N-methyl-4-nitrobenzamide
CID 82781655
3-chloro-N,N-bis(2-methylpropyl)-4-nitrobenzamide
CID 82776447
N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide
CID 63211664
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide (CID 82776222) is 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide is CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide?
The InChIKey is RVYJZFKAEDVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-17(11-4-2-3-10(16)8-11)14(19)9-5-6-13(18(20)21)12(15)7-9/h2-8H,1H3.
What are the key properties of 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide?
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide has a molecular weight of 308.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 82776222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).