2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide

C16H23Cl2NO2 — CID 22932338

IUPAC2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO2/c1-10(2)5-4-6-11(3)19-15(20)9-12-7-13(17)16(21)14(18)8-12/h7-8,10-11,21H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyCNDRLBCUGYAQLR-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.57
Rot. Bonds7

About 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide

2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 22932338) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide
PubChem CID22932338
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO2/c1-10(2)5-4-6-11(3)19-15(20)9-12-7-13(17)16(21)14(18)8-12/h7-8,10-11,21H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyCNDRLBCUGYAQLR-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
N-(6-methylheptan-2-yl)butanamide
CID 60644759
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46605787
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpentyl)acetamide
CID 32628858
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 92752487
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide (CID 22932338) is 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)Cc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is CNDRLBCUGYAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-10(2)5-4-6-11(3)19-15(20)9-12-7-13(17)16(21)14(18)8-12/h7-8,10-11,21H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide?
2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 332.27 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 22932338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).