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

C14H17Cl2NO4 — CID 65218880

IUPAC2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-3-4-8(14(19)20)7-17-13(18)9-5-10(15)12(21-2)11(16)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKWDSNSAZMPFAPE-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.23
Rot. Bonds7

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

2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid (PubChem CID 65218880) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
PubChem CID65218880
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-3-4-8(14(19)20)7-17-13(18)9-5-10(15)12(21-2)11(16)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKWDSNSAZMPFAPE-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81127214
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid (CID 65218880) is 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid?
The InChIKey is KWDSNSAZMPFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-3-4-8(14(19)20)7-17-13(18)9-5-10(15)12(21-2)11(16)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid?
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid has a molecular weight of 334.20 g/mol, XLogP of 3.23, 7 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]methyl]pentanoic acid is sourced from PubChem (CID 65218880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).