2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide

C14H14ClNO — CID 62224984

IUPAC2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide
SMILESCN(C)C(=O)C(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C14H14ClNO/c1-16(2)14(17)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3
InChIKeyGMCCVRDFMJPNQS-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide

2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide (PubChem CID 62224984) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide
PubChem CID62224984
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide
SMILESCN(C)C(=O)C(Cl)c1ccc2ccccc2c1
InChIInChI=1S/C14H14ClNO/c1-16(2)14(17)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3
InChIKeyGMCCVRDFMJPNQS-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
CID 62225534
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
dichloro(1-naphthalen-2-ylethyl)borane
CID 156905612
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174
dimethylamino(naphthalen-2-yl)methanethiol
CID 116909499
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
acetic acid;1-naphthalen-2-ylprop-2-en-1-ol
CID 70153213
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide?
The IUPAC name of 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide (CID 62224984) is 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide is CN(C)C(=O)C(Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide?
The InChIKey is GMCCVRDFMJPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16(2)14(17)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide?
2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide has a molecular weight of 247.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 62224984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).