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

C13H15Cl2NO3 — CID 65218826

IUPAC2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-4-8(13(18)19)7-16-12(17)9-5-3-6-10(14)11(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyRRYROVALHFNRFM-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.22
Rot. Bonds6

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

2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid (PubChem CID 65218826) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
PubChem CID65218826
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-2-4-8(13(18)19)7-16-12(17)9-5-3-6-10(14)11(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyRRYROVALHFNRFM-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

2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
2-[(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)methyl]pentanoic acid
CID 65218612
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 65219302
2-[[(2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 65218323
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
CID 64539557
2-[[[2-(2-chlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 65223556
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid (CID 65218826) is 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid?
The InChIKey is RRYROVALHFNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-2-4-8(13(18)19)7-16-12(17)9-5-3-6-10(14)11(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid?
2-[[(2,3-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 2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).