2-(2,6-dichloroanilino)acetaldehyde

C8H7Cl2NO — CID 155192832

IUPAC2-(2,6-dichloroanilino)acetaldehyde
SMILESO=CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,5,11H,4H2
InChIKeyDSWRISRBGMGNDI-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,6-dichloroanilino)acetaldehyde

2-(2,6-dichloroanilino)acetaldehyde (PubChem CID 155192832) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)acetaldehyde
PubChem CID155192832
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2-(2,6-dichloroanilino)acetaldehyde
SMILESO=CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,5,11H,4H2
InChIKeyDSWRISRBGMGNDI-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582
N'-(2,6-dichlorophenyl)-N-methylethane-1,2-diamine
CID 12666307
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
3-(2,6-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81411469
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)acetaldehyde?
The IUPAC name of 2-(2,6-dichloroanilino)acetaldehyde (CID 155192832) is 2-(2,6-dichloroanilino)acetaldehyde.
What is the SMILES notation for 2-(2,6-dichloroanilino)acetaldehyde?
The canonical SMILES for 2-(2,6-dichloroanilino)acetaldehyde is O=CCNc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloroanilino)acetaldehyde?
The InChIKey is DSWRISRBGMGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,5,11H,4H2.
What are the key properties of 2-(2,6-dichloroanilino)acetaldehyde?
2-(2,6-dichloroanilino)acetaldehyde has a molecular weight of 204.06 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)acetaldehyde is sourced from PubChem (CID 155192832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).