2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide

C15H14Cl2N2O2 — CID 57034426

IUPAC2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCO)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9-6-7-11(16)14(13(9)17)19-12-5-3-2-4-10(12)15(21)18-8-20/h2-7,19-20H,8H2,1H3,(H,18,21)
InChIKeyWMLDCYFJKZDXCR-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide

2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide (PubChem CID 57034426) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
PubChem CID57034426
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCO)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9-6-7-11(16)14(13(9)17)19-12-5-3-2-4-10(12)15(21)18-8-20/h2-7,19-20H,8H2,1H3,(H,18,21)
InChIKeyWMLDCYFJKZDXCR-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
CID 19842359
N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
CID 86744462
[2-(2,6-dichloro-3-methylanilino)phenyl]methanol
CID 15027375
bis(2-(2,6-dichloro-3-methylanilino)benzoic acid);4-pyridin-4-ylpyridine
CID 139145966
azane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70150385
butane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70500245
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
acetic acid;2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 24752851

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide?
The IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide (CID 57034426) is 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide.
What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide?
The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide is Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCO)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide?
The InChIKey is WMLDCYFJKZDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9-6-7-11(16)14(13(9)17)19-12-5-3-2-4-10(12)15(21)18-8-20/h2-7,19-20H,8H2,1H3,(H,18,21).
What are the key properties of 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide?
2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide has a molecular weight of 325.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide is sourced from PubChem (CID 57034426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).