2-(3,5-dichloroanilino)-N-propan-2-ylacetamide

C11H14Cl2N2O — CID 28576141

IUPAC2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)15-11(16)6-14-10-4-8(12)3-9(13)5-10/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyMBQVFNCRIJUBCO-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide

2-(3,5-dichloroanilino)-N-propan-2-ylacetamide (PubChem CID 28576141) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
PubChem CID28576141
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)15-11(16)6-14-10-4-8(12)3-9(13)5-10/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyMBQVFNCRIJUBCO-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 116699479
2-(3,5-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26417629
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide (CID 28576141) is 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide?
The InChIKey is MBQVFNCRIJUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(2)15-11(16)6-14-10-4-8(12)3-9(13)5-10/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide?
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide has a molecular weight of 261.15 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 28576141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).