N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide

C14H15ClN2O — CID 103771809

IUPACN-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1
InChIInChI=1S/C14H15ClN2O/c1-9-3-4-11(15)12(5-9)17-13(18)14(8-16)6-10(2)7-14/h3-5,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyMSWCTYNIHMXETK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.53
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide

N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 103771809) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID103771809
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1
InChIInChI=1S/C14H15ClN2O/c1-9-3-4-11(15)12(5-9)17-13(18)14(8-16)6-10(2)7-14/h3-5,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyMSWCTYNIHMXETK-UHFFFAOYSA-N
XLogP3.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide (CID 103771809) is N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide is Cc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is MSWCTYNIHMXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-3-4-11(15)12(5-9)17-13(18)14(8-16)6-10(2)7-14/h3-5,10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 103771809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).