N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide

C17H15ClN2O — CID 146227554

IUPACN-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide
SMILESCCc1cc(-c2c(Cl)cccc2C#N)cc(C)c1NC=O
InChIInChI=1S/C17H15ClN2O/c1-3-12-8-14(7-11(2)17(12)20-10-21)16-13(9-19)5-4-6-15(16)18/h4-8,10H,3H2,1-2H3,(H,20,21)
InChIKeyXSCNWWINRPKUCQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide

N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide (PubChem CID 146227554) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide
PubChem CID146227554
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide
SMILESCCc1cc(-c2c(Cl)cccc2C#N)cc(C)c1NC=O
InChIInChI=1S/C17H15ClN2O/c1-3-12-8-14(7-11(2)17(12)20-10-21)16-13(9-19)5-4-6-15(16)18/h4-8,10H,3H2,1-2H3,(H,20,21)
InChIKeyXSCNWWINRPKUCQ-UHFFFAOYSA-N
XLogP4.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide?
The IUPAC name of N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide (CID 146227554) is N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide.
What is the SMILES notation for N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide?
The canonical SMILES for N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide is CCc1cc(-c2c(Cl)cccc2C#N)cc(C)c1NC=O.
What is the InChIKey of N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide?
The InChIKey is XSCNWWINRPKUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-3-12-8-14(7-11(2)17(12)20-10-21)16-13(9-19)5-4-6-15(16)18/h4-8,10H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide?
N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide has a molecular weight of 298.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-6-cyanophenyl)-2-ethyl-6-methylphenyl]formamide is sourced from PubChem (CID 146227554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).