1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide

C14H19ClN2O — CID 81172128

IUPAC1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)13(18)14(16)8-5-9-14/h3-4,6-7,10H,5,8-9,16H2,1-2H3
InChIKeyANTVTRAPYBAWGG-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.74
Rot. Bonds3

About 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide

1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 81172128) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID81172128
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)13(18)14(16)8-5-9-14/h3-4,6-7,10H,5,8-9,16H2,1-2H3
InChIKeyANTVTRAPYBAWGG-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 54874342
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1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
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N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (CID 81172128) is 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is CC(c1ccccc1Cl)N(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is ANTVTRAPYBAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-6-3-4-7-12(11)15)17(2)13(18)14(16)8-5-9-14/h3-4,6-7,10H,5,8-9,16H2,1-2H3.
What are the key properties of 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 81172128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).