5-(2,3-dichloroanilino)pentanoic acid

C11H13Cl2NO2 — CID 28972138

IUPAC5-(2,3-dichloroanilino)pentanoic acid
SMILESO=C(O)CCCCNc1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c12-8-4-3-5-9(11(8)13)14-7-2-1-6-10(15)16/h3-5,14H,1-2,6-7H2,(H,15,16)
InChIKeyPALRVMJLFFGBNP-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.66
Rot. Bonds6

About 5-(2,3-dichloroanilino)pentanoic acid

5-(2,3-dichloroanilino)pentanoic acid (PubChem CID 28972138) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 5-(2,3-dichloroanilino)pentanoic acid.

Molecular Properties

Compound Name5-(2,3-dichloroanilino)pentanoic acid
PubChem CID28972138
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name5-(2,3-dichloroanilino)pentanoic acid
SMILESO=C(O)CCCCNc1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c12-8-4-3-5-9(11(8)13)14-7-2-1-6-10(15)16/h3-5,14H,1-2,6-7H2,(H,15,16)
InChIKeyPALRVMJLFFGBNP-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
3-(2,3-dichloroanilino)propanamide
CID 43152512
2,3-dichloro-N-(4-phenylbutyl)aniline
CID 114333166
4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473554
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558
5-(2-bromoanilino)pentanoic acid
CID 28972032
5-(2-amino-3-chloroanilino)pentanamide
CID 106234126
3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
CID 24694576

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroanilino)pentanoic acid?
The IUPAC name of 5-(2,3-dichloroanilino)pentanoic acid (CID 28972138) is 5-(2,3-dichloroanilino)pentanoic acid.
What is the SMILES notation for 5-(2,3-dichloroanilino)pentanoic acid?
The canonical SMILES for 5-(2,3-dichloroanilino)pentanoic acid is O=C(O)CCCCNc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichloroanilino)pentanoic acid?
The InChIKey is PALRVMJLFFGBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-8-4-3-5-9(11(8)13)14-7-2-1-6-10(15)16/h3-5,14H,1-2,6-7H2,(H,15,16).
What are the key properties of 5-(2,3-dichloroanilino)pentanoic acid?
5-(2,3-dichloroanilino)pentanoic acid has a molecular weight of 262.14 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroanilino)pentanoic acid is sourced from PubChem (CID 28972138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).