3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid

C13H15Cl2NO3 — CID 81066303

IUPAC3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-8(6-11(17)18)7-16-13(19)12-9(14)4-3-5-10(12)15/h3-5,8H,2,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZAEAVTBSGAAMPE-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.22
Rot. Bonds6

About 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid

3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid (PubChem CID 81066303) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
PubChem CID81066303
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1c(Cl)cccc1Cl)CC(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-8(6-11(17)18)7-16-13(19)12-9(14)4-3-5-10(12)15/h3-5,8H,2,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZAEAVTBSGAAMPE-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-chloro-6-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067150
3-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81067004
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
N-(2-ethylbutyl)-2,6-dihydroxybenzamide
CID 103890450

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid (CID 81066303) is 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1c(Cl)cccc1Cl)CC(=O)O.
What is the InChIKey of 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid?
The InChIKey is ZAEAVTBSGAAMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-2-8(6-11(17)18)7-16-13(19)12-9(14)4-3-5-10(12)15/h3-5,8H,2,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid?
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81066303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).