4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide

C11H14Cl2N2O2 — CID 67066712

IUPAC4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide
SMILESCC(O)(CNc1cc(Cl)cc(Cl)c1)CC(N)=O
InChIInChI=1S/C11H14Cl2N2O2/c1-11(17,5-10(14)16)6-15-9-3-7(12)2-8(13)4-9/h2-4,15,17H,5-6H2,1H3,(H2,14,16)
InChIKeyUIZYKRKKXQGHPR-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.03
Rot. Bonds5

About 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide

4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide (PubChem CID 67066712) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide
PubChem CID67066712
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide
SMILESCC(O)(CNc1cc(Cl)cc(Cl)c1)CC(N)=O
InChIInChI=1S/C11H14Cl2N2O2/c1-11(17,5-10(14)16)6-15-9-3-7(12)2-8(13)4-9/h2-4,15,17H,5-6H2,1H3,(H2,14,16)
InChIKeyUIZYKRKKXQGHPR-UHFFFAOYSA-N
XLogP2.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
2-(3,5-dichloroanilino)propanamide
CID 43085996
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide?
The IUPAC name of 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide (CID 67066712) is 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide is CC(O)(CNc1cc(Cl)cc(Cl)c1)CC(N)=O.
What is the InChIKey of 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide?
The InChIKey is UIZYKRKKXQGHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-11(17,5-10(14)16)6-15-9-3-7(12)2-8(13)4-9/h2-4,15,17H,5-6H2,1H3,(H2,14,16).
What are the key properties of 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide?
4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide has a molecular weight of 277.15 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloroanilino)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 67066712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).