N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide

C18H18N2O — CID 145057809

IUPACN-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide
SMILESCc1cc(C#N)ccc1-c1ccc(C(C)(C)NC=O)cc1
InChIInChI=1S/C18H18N2O/c1-13-10-14(11-19)4-9-17(13)15-5-7-16(8-6-15)18(2,3)20-12-21/h4-10,12H,1-3H3,(H,20,21)
InChIKeyRNNKANCFMBRFKY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.51
Rot. Bonds4

About N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide

N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide (PubChem CID 145057809) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide
PubChem CID145057809
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide
SMILESCc1cc(C#N)ccc1-c1ccc(C(C)(C)NC=O)cc1
InChIInChI=1S/C18H18N2O/c1-13-10-14(11-19)4-9-17(13)15-5-7-16(8-6-15)18(2,3)20-12-21/h4-10,12H,1-3H3,(H,20,21)
InChIKeyRNNKANCFMBRFKY-UHFFFAOYSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.51
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-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide?
The IUPAC name of N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide (CID 145057809) is N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide.
What is the SMILES notation for N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide?
The canonical SMILES for N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide is Cc1cc(C#N)ccc1-c1ccc(C(C)(C)NC=O)cc1.
What is the InChIKey of N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide?
The InChIKey is RNNKANCFMBRFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-10-14(11-19)4-9-17(13)15-5-7-16(8-6-15)18(2,3)20-12-21/h4-10,12H,1-3H3,(H,20,21).
What are the key properties of N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide?
N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide has a molecular weight of 278.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyano-2-methylphenyl)phenyl]propan-2-yl]formamide is sourced from PubChem (CID 145057809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).