5-[(2,3,6-trichlorophenyl)methylamino]pentanamide

C12H15Cl3N2O — CID 106234618

IUPAC5-[(2,3,6-trichlorophenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl3N2O/c13-9-4-5-10(14)12(15)8(9)7-17-6-2-1-3-11(16)18/h4-5,17H,1-3,6-7H2,(H2,16,18)
InChIKeyOWJJOHSQLADHAV-UHFFFAOYSA-N
MW309.62 g/mol
LogP3.39
Rot. Bonds7

About 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide

5-[(2,3,6-trichlorophenyl)methylamino]pentanamide (PubChem CID 106234618) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(2,3,6-trichlorophenyl)methylamino]pentanamide
PubChem CID106234618
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name5-[(2,3,6-trichlorophenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl3N2O/c13-9-4-5-10(14)12(15)8(9)7-17-6-2-1-3-11(16)18/h4-5,17H,1-3,6-7H2,(H2,16,18)
InChIKeyOWJJOHSQLADHAV-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide 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

N'-[(2,3,6-trichlorophenyl)methyl]butane-1,4-diamine
CID 115281252
5-[(2-chloro-5-nitrophenyl)methylamino]pentanamide
CID 106233326
4-propan-2-yloxy-N-[(2,3,6-trichlorophenyl)methyl]butan-1-amine
CID 106007740
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
5-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]pentanamide
CID 106237572
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
3-[(2,3,6-trichlorophenyl)methylamino]butanamide
CID 113250261
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentanamide
CID 106237592

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide?
The IUPAC name of 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide (CID 106234618) is 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide is NC(=O)CCCCNCc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide?
The InChIKey is OWJJOHSQLADHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c13-9-4-5-10(14)12(15)8(9)7-17-6-2-1-3-11(16)18/h4-5,17H,1-3,6-7H2,(H2,16,18).
What are the key properties of 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide?
5-[(2,3,6-trichlorophenyl)methylamino]pentanamide has a molecular weight of 309.62 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,6-trichlorophenyl)methylamino]pentanamide is sourced from PubChem (CID 106234618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).