2-(2,5-dichloroanilino)-5-methylbenzoic acid

C14H11Cl2NO2 — CID 63528661

IUPAC2-(2,5-dichloroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2cc(Cl)ccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-2-5-12(10(6-8)14(18)19)17-13-7-9(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyNMDFSUDZIOSALE-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.74
Rot. Bonds3

About 2-(2,5-dichloroanilino)-5-methylbenzoic acid

2-(2,5-dichloroanilino)-5-methylbenzoic acid (PubChem CID 63528661) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-5-methylbenzoic acid
PubChem CID63528661
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-(2,5-dichloroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2cc(Cl)ccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO2/c1-8-2-5-12(10(6-8)14(18)19)17-13-7-9(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyNMDFSUDZIOSALE-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-(4-bromo-2,3-dichloroanilino)-5-methylbenzoic acid
CID 107791139
5-chloro-2-(2-chloro-5-methylanilino)benzenecarbothioamide
CID 107635512
2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
CID 107636111
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
2-[2-(2,5-dichlorophenoxy)ethylamino]-5-methylbenzoic acid
CID 18802511
2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 46847428
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-5-methylbenzoic acid?
The IUPAC name of 2-(2,5-dichloroanilino)-5-methylbenzoic acid (CID 63528661) is 2-(2,5-dichloroanilino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,5-dichloroanilino)-5-methylbenzoic acid?
The canonical SMILES for 2-(2,5-dichloroanilino)-5-methylbenzoic acid is Cc1ccc(Nc2cc(Cl)ccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-(2,5-dichloroanilino)-5-methylbenzoic acid?
The InChIKey is NMDFSUDZIOSALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-2-5-12(10(6-8)14(18)19)17-13-7-9(15)3-4-11(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(2,5-dichloroanilino)-5-methylbenzoic acid?
2-(2,5-dichloroanilino)-5-methylbenzoic acid has a molecular weight of 296.15 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-5-methylbenzoic acid is sourced from PubChem (CID 63528661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).