N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide

C13H18ClNO2 — CID 62224063

IUPACN-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)15-12(16)11(14)9-7-5-6-8-10(9)17-4/h5-8,11H,1-4H3,(H,15,16)
InChIKeyRCOVOCXTVGFAPX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.89
Rot. Bonds3

About N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide

N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide (PubChem CID 62224063) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
PubChem CID62224063
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1C(Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)15-12(16)11(14)9-7-5-6-8-10(9)17-4/h5-8,11H,1-4H3,(H,15,16)
InChIKeyRCOVOCXTVGFAPX-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
2-(2-bromo-5-methoxyphenyl)-N-tert-butyl-2-chloroacetamide
CID 114078030
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
CID 130581494
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
[2-[2-(tert-butylamino)-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 167060881
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide (CID 62224063) is N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide is COc1ccccc1C(Cl)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide?
The InChIKey is RCOVOCXTVGFAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)15-12(16)11(14)9-7-5-6-8-10(9)17-4/h5-8,11H,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide?
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 62224063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).