2-(2,3-dichloroanilino)-N-heptylacetamide

C15H22Cl2N2O — CID 54816059

IUPAC2-(2,3-dichloroanilino)-N-heptylacetamide
SMILESCCCCCCCNC(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-10-18-14(20)11-19-13-9-7-8-12(16)15(13)17/h7-9,19H,2-6,10-11H2,1H3,(H,18,20)
InChIKeyHJBZYLCLLJPLOV-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.49
Rot. Bonds9

About 2-(2,3-dichloroanilino)-N-heptylacetamide

2-(2,3-dichloroanilino)-N-heptylacetamide (PubChem CID 54816059) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-heptylacetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-heptylacetamide
PubChem CID54816059
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(2,3-dichloroanilino)-N-heptylacetamide
SMILESCCCCCCCNC(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-10-18-14(20)11-19-13-9-7-8-12(16)15(13)17/h7-9,19H,2-6,10-11H2,1H3,(H,18,20)
InChIKeyHJBZYLCLLJPLOV-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.49
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

2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
CID 54815954
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-butyl-2-(3,4-dichloro-2-methylsulfonylanilino)acetamide
CID 22301237
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-heptylacetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-heptylacetamide (CID 54816059) is 2-(2,3-dichloroanilino)-N-heptylacetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-heptylacetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-heptylacetamide is CCCCCCCNC(=O)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-heptylacetamide?
The InChIKey is HJBZYLCLLJPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-3-4-5-6-10-18-14(20)11-19-13-9-7-8-12(16)15(13)17/h7-9,19H,2-6,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dichloroanilino)-N-heptylacetamide?
2-(2,3-dichloroanilino)-N-heptylacetamide has a molecular weight of 317.26 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-heptylacetamide is sourced from PubChem (CID 54816059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).