1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide

C13H17ClN2O — CID 81172071

IUPAC1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)6-9-16-12(17)13(15)7-1-8-13/h2-5H,1,6-9,15H2,(H,16,17)
InChIKeyOMLGEUXWVWBWJF-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.88
Rot. Bonds4

About 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81172071) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID81172071
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)6-9-16-12(17)13(15)7-1-8-13/h2-5H,1,6-9,15H2,(H,16,17)
InChIKeyOMLGEUXWVWBWJF-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
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1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
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1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
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2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide (CID 81172071) is 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide is NC1(C(=O)NCCc2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is OMLGEUXWVWBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)6-9-16-12(17)13(15)7-1-8-13/h2-5H,1,6-9,15H2,(H,16,17).
What are the key properties of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81172071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).