N-benzyl-N-(2,4,6-trichlorophenyl)formamide

C14H10Cl3NO — CID 87333520

IUPACN-benzyl-N-(2,4,6-trichlorophenyl)formamide
SMILESO=CN(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c15-11-6-12(16)14(13(17)7-11)18(9-19)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyRPYWHDJBNAXNRQ-UHFFFAOYSA-N
MW314.60 g/mol
LogP4.81
Rot. Bonds4

About N-benzyl-N-(2,4,6-trichlorophenyl)formamide

N-benzyl-N-(2,4,6-trichlorophenyl)formamide (PubChem CID 87333520) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is N-benzyl-N-(2,4,6-trichlorophenyl)formamide.

Molecular Properties

Compound NameN-benzyl-N-(2,4,6-trichlorophenyl)formamide
PubChem CID87333520
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC NameN-benzyl-N-(2,4,6-trichlorophenyl)formamide
SMILESO=CN(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c15-11-6-12(16)14(13(17)7-11)18(9-19)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyRPYWHDJBNAXNRQ-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,4,6-trichlorophenyl)formamide?
The IUPAC name of N-benzyl-N-(2,4,6-trichlorophenyl)formamide (CID 87333520) is N-benzyl-N-(2,4,6-trichlorophenyl)formamide.
What is the SMILES notation for N-benzyl-N-(2,4,6-trichlorophenyl)formamide?
The canonical SMILES for N-benzyl-N-(2,4,6-trichlorophenyl)formamide is O=CN(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-N-(2,4,6-trichlorophenyl)formamide?
The InChIKey is RPYWHDJBNAXNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c15-11-6-12(16)14(13(17)7-11)18(9-19)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of N-benzyl-N-(2,4,6-trichlorophenyl)formamide?
N-benzyl-N-(2,4,6-trichlorophenyl)formamide has a molecular weight of 314.60 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,4,6-trichlorophenyl)formamide is sourced from PubChem (CID 87333520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).