N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide

C15H13Cl3N2O — CID 43761409

IUPACN-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-9(21)20-11-4-2-3-10(7-11)19-8-12-13(16)5-6-14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyBAVJGZQXNDFKTA-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.22
Rot. Bonds4

About N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide

N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide (PubChem CID 43761409) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide
PubChem CID43761409
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC NameN-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-9(21)20-11-4-2-3-10(7-11)19-8-12-13(16)5-6-14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyBAVJGZQXNDFKTA-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43767611
3-chloro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43762080
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
CID 61390209
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide (CID 43761409) is N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide?
The InChIKey is BAVJGZQXNDFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-9(21)20-11-4-2-3-10(7-11)19-8-12-13(16)5-6-14(17)15(12)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide?
N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide has a molecular weight of 343.64 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43761409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).