2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride

C12H9Cl2NO — CID 54435704

IUPAC2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride
SMILESNC(C(=O)Cl)c1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9Cl2NO/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(15)12(14)16/h1-6,11H,15H2
InChIKeyWKOTXQHXBBVAED-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.26
Rot. Bonds2

About 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride

2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride (PubChem CID 54435704) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride
PubChem CID54435704
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride
SMILESNC(C(=O)Cl)c1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9Cl2NO/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(15)12(14)16/h1-6,11H,15H2
InChIKeyWKOTXQHXBBVAED-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-propan-2-ylnaphthalene
CID 59606760
(2S)-2-amino-2-(1-bromonaphthalen-2-yl)acetic acid
CID 66513273
2-(1-chloronaphthalen-2-yl)butanal
CID 54391003
benzyl 2-acetyl-3-(1-chloronaphthalen-2-yl)butanoate
CID 18370167
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
2-(difluoromethyl)naphthalene-1-carboxylic acid
CID 118854351
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
1-chloronaphthalene-2-sulfonic acid
CID 14389107
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
acetic acid;chrysene
CID 175201446
1-chloro-2-methylsulfanylnaphthalene
CID 15311205

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride?
The IUPAC name of 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride (CID 54435704) is 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride.
What is the SMILES notation for 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride?
The canonical SMILES for 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride is NC(C(=O)Cl)c1ccc2ccccc2c1Cl.
What is the InChIKey of 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride?
The InChIKey is WKOTXQHXBBVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(15)12(14)16/h1-6,11H,15H2.
What are the key properties of 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride?
2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride has a molecular weight of 254.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-chloronaphthalen-2-yl)acetyl chloride is sourced from PubChem (CID 54435704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).