2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide

C14H19ClN2O — CID 81178920

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-11(15)7-12(10)17-13(18)8-14(9-16)5-2-6-14/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyWDSNALMSFNDTDW-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 81178920) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID81178920
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-11(15)7-12(10)17-13(18)8-14(9-16)5-2-6-14/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyWDSNALMSFNDTDW-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106954350
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide (CID 81178920) is 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is WDSNALMSFNDTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-4-11(15)7-12(10)17-13(18)8-14(9-16)5-2-6-14/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 81178920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).