2-(4-aminophenyl)acetyl chloride;ethane

C10H14ClNO — CID 143474750

IUPAC2-(4-aminophenyl)acetyl chloride;ethane
SMILESCC.Nc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO.C2H6/c9-8(11)5-6-1-3-7(10)4-2-6;1-2/h1-4H,5,10H2;1-2H3
InChIKeyNGOUEAJYSMAAID-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-aminophenyl)acetyl chloride;ethane

2-(4-aminophenyl)acetyl chloride;ethane (PubChem CID 143474750) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(4-aminophenyl)acetyl chloride;ethane.

Molecular Properties

Compound Name2-(4-aminophenyl)acetyl chloride;ethane
PubChem CID143474750
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(4-aminophenyl)acetyl chloride;ethane
SMILESCC.Nc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO.C2H6/c9-8(11)5-6-1-3-7(10)4-2-6;1-2/h1-4H,5,10H2;1-2H3
InChIKeyNGOUEAJYSMAAID-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
2-(4-acetylphenyl)acetyl chloride
CID 19746515
1-(4-aminophenyl)-3-bromopropan-2-one
CID 130951601
2-(4-iodophenyl)acetyl chloride
CID 13340573
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
acetyl chloride;4-ethynylaniline;1-(4-ethynylphenyl)propan-2-one
CID 162004262
amino 2-(4-aminophenyl)acetate
CID 66872043
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)acetyl chloride;ethane?
The IUPAC name of 2-(4-aminophenyl)acetyl chloride;ethane (CID 143474750) is 2-(4-aminophenyl)acetyl chloride;ethane.
What is the SMILES notation for 2-(4-aminophenyl)acetyl chloride;ethane?
The canonical SMILES for 2-(4-aminophenyl)acetyl chloride;ethane is CC.Nc1ccc(CC(=O)Cl)cc1.
What is the InChIKey of 2-(4-aminophenyl)acetyl chloride;ethane?
The InChIKey is NGOUEAJYSMAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C2H6/c9-8(11)5-6-1-3-7(10)4-2-6;1-2/h1-4H,5,10H2;1-2H3.
What are the key properties of 2-(4-aminophenyl)acetyl chloride;ethane?
2-(4-aminophenyl)acetyl chloride;ethane has a molecular weight of 199.68 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)acetyl chloride;ethane is sourced from PubChem (CID 143474750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).