N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide

C12H13Cl2NO — CID 121382514

IUPACN-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
SMILESCC(=O)NC1CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-7(16)15-12-5-4-10(12)9-3-2-8(13)6-11(9)14/h2-3,6,10,12H,4-5H2,1H3,(H,15,16)
InChIKeyUGDORHZIEGFERS-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.38
Rot. Bonds2

About N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide

N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide (PubChem CID 121382514) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
PubChem CID121382514
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
SMILESCC(=O)NC1CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-7(16)15-12-5-4-10(12)9-3-2-8(13)6-11(9)14/h2-3,6,10,12H,4-5H2,1H3,(H,15,16)
InChIKeyUGDORHZIEGFERS-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377101
2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
CID 121377084
cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine
CID 175527113
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 97211308
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 136581557
(3S,4S)-4-(2,4-dichlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675449
(1S,6S)-6-(2,4-dichlorophenyl)cyclohex-3-ene-1-carboxylic acid
CID 34364287
(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
CID 125483612
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide (CID 121382514) is N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide is CC(=O)NC1CCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide?
The InChIKey is UGDORHZIEGFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(16)15-12-5-4-10(12)9-3-2-8(13)6-11(9)14/h2-3,6,10,12H,4-5H2,1H3,(H,15,16).
What are the key properties of N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide?
N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide has a molecular weight of 258.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide is sourced from PubChem (CID 121382514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).