2-amino-N-(2,4,6-trichlorophenyl)pentanamide

C11H13Cl3N2O — CID 43650225

IUPAC2-amino-N-(2,4,6-trichlorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyWGOJBGCVCGQLKW-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.71
Rot. Bonds4

About 2-amino-N-(2,4,6-trichlorophenyl)pentanamide

2-amino-N-(2,4,6-trichlorophenyl)pentanamide (PubChem CID 43650225) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 2-amino-N-(2,4,6-trichlorophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2,4,6-trichlorophenyl)pentanamide
PubChem CID43650225
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name2-amino-N-(2,4,6-trichlorophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)
InChIKeyWGOJBGCVCGQLKW-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide
CID 114051376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4,6-trichlorophenyl)pentanamide?
The IUPAC name of 2-amino-N-(2,4,6-trichlorophenyl)pentanamide (CID 43650225) is 2-amino-N-(2,4,6-trichlorophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2,4,6-trichlorophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(2,4,6-trichlorophenyl)pentanamide is CCCC(N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-(2,4,6-trichlorophenyl)pentanamide?
The InChIKey is WGOJBGCVCGQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2,4,6-trichlorophenyl)pentanamide?
2-amino-N-(2,4,6-trichlorophenyl)pentanamide has a molecular weight of 295.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4,6-trichlorophenyl)pentanamide is sourced from PubChem (CID 43650225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).