N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide

C15H20ClNO2 — CID 110788802

IUPACN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1cc(C)c(Cl)cc1CCNC(=O)C1CCC1
InChIInChI=1S/C15H20ClNO2/c1-10-8-14(19-2)12(9-13(10)16)6-7-17-15(18)11-4-3-5-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)
InChIKeyMJNWGYGLQGHLOT-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide

N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 110788802) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
PubChem CID110788802
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1cc(C)c(Cl)cc1CCNC(=O)C1CCC1
InChIInChI=1S/C15H20ClNO2/c1-10-8-14(19-2)12(9-13(10)16)6-7-17-15(18)11-4-3-5-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)
InChIKeyMJNWGYGLQGHLOT-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide (CID 110788802) is N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide is COc1cc(C)c(Cl)cc1CCNC(=O)C1CCC1.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is MJNWGYGLQGHLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-8-14(19-2)12(9-13(10)16)6-7-17-15(18)11-4-3-5-11/h8-9,11H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide?
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110788802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).