2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide

C13H17ClN2O — CID 79851100

IUPAC2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-11(10(14)7-9)16-12(17)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyWNXIGOVVRNRRGX-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide

2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 79851100) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID79851100
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-11(10(14)7-9)16-12(17)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyWNXIGOVVRNRRGX-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclopentyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 64686310
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 79851030
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide (CID 79851100) is 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2(N)CCC2)c(Cl)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is WNXIGOVVRNRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-4-11(10(14)7-9)16-12(17)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 252.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 79851100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).