2-(butylamino)-N-(2,4-dichlorophenyl)acetamide

C12H16Cl2N2O — CID 54815344

IUPAC2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-3-6-15-8-12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyOGFLBNFIPKVQGD-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.32
Rot. Bonds6

About 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide

2-(butylamino)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 54815344) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
PubChem CID54815344
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
SMILESCCCCNCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-3-6-15-8-12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyOGFLBNFIPKVQGD-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.32
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

N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,4-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164034
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide (CID 54815344) is 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide is CCCCNCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is OGFLBNFIPKVQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-3-6-15-8-12(17)16-11-5-4-9(13)7-10(11)14/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide?
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 275.18 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 54815344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).