3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide

C16H11ClF3N3O6 — CID 2800501

IUPAC3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
SMILESCOc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C16H11ClF3N3O6/c1-28-13-7(17)5-10(23(26)27)14(29-2)11(13)15(24)22-16(25)21-12-8(19)3-6(18)4-9(12)20/h3-5H,1-2H3,(H2,21,22,24,25)
InChIKeyOGYGJCVDUZWKJS-UHFFFAOYSA-N
MW433.73 g/mol
LogP3.64
Rot. Bonds5

About 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide

3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide (PubChem CID 2800501) has the molecular formula C16H11ClF3N3O6 and a molecular weight of 433.73 g/mol. Its IUPAC name is 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
PubChem CID2800501
Molecular FormulaC16H11ClF3N3O6
Molecular Weight433.73 g/mol
Exact Mass433.03
IUPAC Name3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
SMILESCOc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C16H11ClF3N3O6/c1-28-13-7(17)5-10(23(26)27)14(29-2)11(13)15(24)22-16(25)21-12-8(19)3-6(18)4-9(12)20/h3-5H,1-2H3,(H2,21,22,24,25)
InChIKeyOGYGJCVDUZWKJS-UHFFFAOYSA-N
XLogP3.64
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]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

3-bromo-N-[(3,5-dichlorophenyl)carbamoyl]-2,6-dimethoxy-5-nitrobenzamide
CID 2800493
2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
CID 2800371
2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
CID 2800369
N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
CID 2800381
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050523
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
N-(3-bromo-5-fluoro-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 17496278
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358480
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The IUPAC name of 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide (CID 2800501) is 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The canonical SMILES for 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide is COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
The InChIKey is OGYGJCVDUZWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O6/c1-28-13-7(17)5-10(23(26)27)14(29-2)11(13)15(24)22-16(25)21-12-8(19)3-6(18)4-9(12)20/h3-5H,1-2H3,(H2,21,22,24,25).
What are the key properties of 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide?
3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide has a molecular weight of 433.73 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 2800501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).