2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide

C13H18Cl2N2O — CID 60671349

IUPAC2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)5-6-16-13(18)8-17-10-3-4-11(14)12(15)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyMJYHELOJMKJCLD-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.57
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide

2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide (PubChem CID 60671349) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
PubChem CID60671349
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)5-6-16-13(18)8-17-10-3-4-11(14)12(15)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyMJYHELOJMKJCLD-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide (CID 60671349) is 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is MJYHELOJMKJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)5-6-16-13(18)8-17-10-3-4-11(14)12(15)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide?
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 289.21 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 60671349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).