N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide

C12H16ClNO2 — CID 64788855

IUPACN-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C12H16ClNO2/c1-3-8(4-2)12(16)14-9-5-6-10(13)11(15)7-9/h5-8,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyIYFYFKFWTSWFES-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.42
Rot. Bonds4

About N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide

N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide (PubChem CID 64788855) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
PubChem CID64788855
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C12H16ClNO2/c1-3-8(4-2)12(16)14-9-5-6-10(13)11(15)7-9/h5-8,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyIYFYFKFWTSWFES-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
N-(4-chloro-3-hydroxyphenyl)-2-(4-methylphenyl)acetamide
CID 64787693

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide (CID 64788855) is N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide?
The InChIKey is IYFYFKFWTSWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-8(4-2)12(16)14-9-5-6-10(13)11(15)7-9/h5-8,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide?
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide is sourced from PubChem (CID 64788855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).