N-(2,5-dichloro-3-formylphenyl)dodecanamide

C19H27Cl2NO2 — CID 54437397

IUPACN-(2,5-dichloro-3-formylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cc(Cl)cc(C=O)c1Cl
InChIInChI=1S/C19H27Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(24)22-17-13-16(20)12-15(14-23)19(17)21/h12-14H,2-11H2,1H3,(H,22,24)
InChIKeyYLSQSQMABLCVDM-UHFFFAOYSA-N
MW372.34 g/mol
LogP6.67
Rot. Bonds12

About N-(2,5-dichloro-3-formylphenyl)dodecanamide

N-(2,5-dichloro-3-formylphenyl)dodecanamide (PubChem CID 54437397) has the molecular formula C19H27Cl2NO2 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-(2,5-dichloro-3-formylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-formylphenyl)dodecanamide
PubChem CID54437397
Molecular FormulaC19H27Cl2NO2
Molecular Weight372.34 g/mol
Exact Mass371.14
IUPAC NameN-(2,5-dichloro-3-formylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cc(Cl)cc(C=O)c1Cl
InChIInChI=1S/C19H27Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(24)22-17-13-16(20)12-15(14-23)19(17)21/h12-14H,2-11H2,1H3,(H,22,24)
InChIKeyYLSQSQMABLCVDM-UHFFFAOYSA-N
XLogP6.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-3-formylphenyl)dodecanamide?
The IUPAC name of N-(2,5-dichloro-3-formylphenyl)dodecanamide (CID 54437397) is N-(2,5-dichloro-3-formylphenyl)dodecanamide.
What is the SMILES notation for N-(2,5-dichloro-3-formylphenyl)dodecanamide?
The canonical SMILES for N-(2,5-dichloro-3-formylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1cc(Cl)cc(C=O)c1Cl.
What is the InChIKey of N-(2,5-dichloro-3-formylphenyl)dodecanamide?
The InChIKey is YLSQSQMABLCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(24)22-17-13-16(20)12-15(14-23)19(17)21/h12-14H,2-11H2,1H3,(H,22,24).
What are the key properties of N-(2,5-dichloro-3-formylphenyl)dodecanamide?
N-(2,5-dichloro-3-formylphenyl)dodecanamide has a molecular weight of 372.34 g/mol, XLogP of 6.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-formylphenyl)dodecanamide is sourced from PubChem (CID 54437397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).