2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid

C13H15Cl2NO4 — CID 43631004

IUPAC2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-3-4-10(13(18)19)16-12(17)7-5-8(14)11(20-2)9(15)6-7/h5-6,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZIWHAHLAMQBQGM-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.99
Rot. Bonds6

About 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid

2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid (PubChem CID 43631004) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
PubChem CID43631004
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-3-4-10(13(18)19)16-12(17)7-5-8(14)11(20-2)9(15)6-7/h5-6,10H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZIWHAHLAMQBQGM-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79011316
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
4-methylsulfonyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 21402561
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid (CID 43631004) is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid?
The InChIKey is ZIWHAHLAMQBQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-3-4-10(13(18)19)16-12(17)7-5-8(14)11(20-2)9(15)6-7/h5-6,10H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid?
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid has a molecular weight of 320.17 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43631004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).