2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide

C13H18ClNO2 — CID 94691468

IUPAC2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
SMILESCOc1cccc(CC(C)(C)NC(=O)CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-13(2,15-12(16)9-14)8-10-5-4-6-11(7-10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyFCRAYCBRQXHRAW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.37
Rot. Bonds5

About 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide

2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide (PubChem CID 94691468) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
PubChem CID94691468
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
SMILESCOc1cccc(CC(C)(C)NC(=O)CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-13(2,15-12(16)9-14)8-10-5-4-6-11(7-10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyFCRAYCBRQXHRAW-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.37
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-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
CID 121002353
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
(2R)-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-2-(oxan-4-yl)propanamide
CID 97244143
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
tert-butyl-[(2S,3R)-3-hydroxy-4-[[1-(3-methoxyphenyl)-2-methylpropan-2-yl]amino]-1-phenylbutan-2-yl]carbamic acid
CID 69360221
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 54904477
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide (CID 94691468) is 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide is COc1cccc(CC(C)(C)NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide?
The InChIKey is FCRAYCBRQXHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,15-12(16)9-14)8-10-5-4-6-11(7-10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide?
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 94691468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).