N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide

C14H18ClNO3 — CID 82259162

IUPACN-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1cc(C(=O)CCCCl)ccc1NC(C)=O
InChIInChI=1S/C14H18ClNO3/c1-3-19-14-9-11(13(18)5-4-8-15)6-7-12(14)16-10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyMJCFOHCWWJQBEC-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.25
Rot. Bonds7

About N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide

N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide (PubChem CID 82259162) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide
PubChem CID82259162
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1cc(C(=O)CCCCl)ccc1NC(C)=O
InChIInChI=1S/C14H18ClNO3/c1-3-19-14-9-11(13(18)5-4-8-15)6-7-12(14)16-10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyMJCFOHCWWJQBEC-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-ethoxyphenyl)-3-chloropropan-1-one
CID 118819069
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
3-(4-acetamido-3-ethoxyanilino)-3-oxopropanoic acid
CID 56605115
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82258660
2-chloro-N-(2,4-diethoxyphenyl)acetamide
CID 166409021
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
1-(5-bromo-2-ethoxyphenyl)-4-chlorobutan-1-one
CID 82051152
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide (CID 82259162) is N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide is CCOc1cc(C(=O)CCCCl)ccc1NC(C)=O.
What is the InChIKey of N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide?
The InChIKey is MJCFOHCWWJQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-19-14-9-11(13(18)5-4-8-15)6-7-12(14)16-10(2)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide?
N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide has a molecular weight of 283.75 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorobutanoyl)-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 82259162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).