2-(2-carbonochloridoylanilino)ethyl acetate

C11H12ClNO3 — CID 87983968

IUPAC2-(2-carbonochloridoylanilino)ethyl acetate
SMILESCC(=O)OCCNc1ccccc1C(=O)Cl
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-6-13-10-5-3-2-4-9(10)11(12)15/h2-5,13H,6-7H2,1H3
InChIKeyYWHSXXRLIVWGEO-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-carbonochloridoylanilino)ethyl acetate

2-(2-carbonochloridoylanilino)ethyl acetate (PubChem CID 87983968) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-(2-carbonochloridoylanilino)ethyl acetate.

Molecular Properties

Compound Name2-(2-carbonochloridoylanilino)ethyl acetate
PubChem CID87983968
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-(2-carbonochloridoylanilino)ethyl acetate
SMILESCC(=O)OCCNc1ccccc1C(=O)Cl
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-6-13-10-5-3-2-4-9(10)11(12)15/h2-5,13H,6-7H2,1H3
InChIKeyYWHSXXRLIVWGEO-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
CID 70579258
2-acetamidobenzoyl chloride
CID 12520814
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
CID 150415416
1-[2-(2-fluoroethylamino)phenyl]ethanone
CID 84657873
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
ethyl 2-(propylamino)benzoate
CID 15662762
2-[[(Z)-3-chlorobut-2-enyl]amino]benzoic acid
CID 135564271
2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate
CID 130352486
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbonochloridoylanilino)ethyl acetate?
The IUPAC name of 2-(2-carbonochloridoylanilino)ethyl acetate (CID 87983968) is 2-(2-carbonochloridoylanilino)ethyl acetate.
What is the SMILES notation for 2-(2-carbonochloridoylanilino)ethyl acetate?
The canonical SMILES for 2-(2-carbonochloridoylanilino)ethyl acetate is CC(=O)OCCNc1ccccc1C(=O)Cl.
What is the InChIKey of 2-(2-carbonochloridoylanilino)ethyl acetate?
The InChIKey is YWHSXXRLIVWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(14)16-7-6-13-10-5-3-2-4-9(10)11(12)15/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-(2-carbonochloridoylanilino)ethyl acetate?
2-(2-carbonochloridoylanilino)ethyl acetate has a molecular weight of 241.67 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbonochloridoylanilino)ethyl acetate is sourced from PubChem (CID 87983968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).