2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide

C13H18Cl2N2O — CID 60671364

IUPAC2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-13(18)8-16-10-5-6-11(14)12(15)7-10/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMNVLNPCGPAQTEV-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.71
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide

2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide (PubChem CID 60671364) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
PubChem CID60671364
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-13(18)8-16-10-5-6-11(14)12(15)7-10/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMNVLNPCGPAQTEV-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
1-(3,4-dichloroanilino)butan-2-one
CID 175330645
2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
CID 60751182
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide (CID 60671364) is 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide?
The InChIKey is MNVLNPCGPAQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-13(18)8-16-10-5-6-11(14)12(15)7-10/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide?
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide has a molecular weight of 289.21 g/mol, XLogP of 3.71, 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-pentan-3-ylacetamide is sourced from PubChem (CID 60671364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).