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

C14H18ClNO2 — CID 110781882

IUPACN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CCC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-13(18-2)12(15)7-11(9)8-16-14(17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyJBZBXDVLXSBLSG-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.07
Rot. Bonds4

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

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide (PubChem CID 110781882) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
PubChem CID110781882
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CCC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-13(18-2)12(15)7-11(9)8-16-14(17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyJBZBXDVLXSBLSG-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 158921013
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 139439837
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide (CID 110781882) is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide is COc1cc(C)c(CNC(=O)C2CCC2)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide?
The InChIKey is JBZBXDVLXSBLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-6-13(18-2)12(15)7-11(9)8-16-14(17)10-4-3-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide?
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide has a molecular weight of 267.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110781882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).