acetaldehyde;2-anilinopropanoyl chloride

C11H14ClNO2 — CID 174623203

IUPACacetaldehyde;2-anilinopropanoyl chloride
SMILESCC(Nc1ccccc1)C(=O)Cl.CC=O
InChIInChI=1S/C9H10ClNO.C2H4O/c1-7(9(10)12)11-8-5-3-2-4-6-8;1-2-3/h2-7,11H,1H3;2H,1H3
InChIKeyMZUNTKUSWFCJEW-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.46
Rot. Bonds3

About acetaldehyde;2-anilinopropanoyl chloride

acetaldehyde;2-anilinopropanoyl chloride (PubChem CID 174623203) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is acetaldehyde;2-anilinopropanoyl chloride.

Molecular Properties

Compound Nameacetaldehyde;2-anilinopropanoyl chloride
PubChem CID174623203
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameacetaldehyde;2-anilinopropanoyl chloride
SMILESCC(Nc1ccccc1)C(=O)Cl.CC=O
InChIInChI=1S/C9H10ClNO.C2H4O/c1-7(9(10)12)11-8-5-3-2-4-6-8;1-2-3/h2-7,11H,1H3;2H,1H3
InChIKeyMZUNTKUSWFCJEW-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
3-anilino-2-methylidenebutanal
CID 71490477
methyl 2-anilinopropanoate
CID 3417283
2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-anilino-1-pyrazol-1-ylpropan-1-one
CID 141299756
N-acetyl-2-anilino-N-hydroxypropanamide
CID 174456940
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2S)-2-anilinopropanoic acid;oxolane
CID 158034208

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-anilinopropanoyl chloride?
The IUPAC name of acetaldehyde;2-anilinopropanoyl chloride (CID 174623203) is acetaldehyde;2-anilinopropanoyl chloride.
What is the SMILES notation for acetaldehyde;2-anilinopropanoyl chloride?
The canonical SMILES for acetaldehyde;2-anilinopropanoyl chloride is CC(Nc1ccccc1)C(=O)Cl.CC=O.
What is the InChIKey of acetaldehyde;2-anilinopropanoyl chloride?
The InChIKey is MZUNTKUSWFCJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C2H4O/c1-7(9(10)12)11-8-5-3-2-4-6-8;1-2-3/h2-7,11H,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-anilinopropanoyl chloride?
acetaldehyde;2-anilinopropanoyl chloride has a molecular weight of 227.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-anilinopropanoyl chloride is sourced from PubChem (CID 174623203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).