N-(2-tert-butylphenyl)-4-cyanobenzamide

C18H18N2O — CID 7688668

IUPACN-(2-tert-butylphenyl)-4-cyanobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h4-11H,1-3H3,(H,20,21)
InChIKeySOJFMOGMHMPKSS-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds2

About N-(2-tert-butylphenyl)-4-cyanobenzamide

N-(2-tert-butylphenyl)-4-cyanobenzamide (PubChem CID 7688668) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-cyanobenzamide
PubChem CID7688668
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(2-tert-butylphenyl)-4-cyanobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h4-11H,1-3H3,(H,20,21)
InChIKeySOJFMOGMHMPKSS-UHFFFAOYSA-N
XLogP4.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-cyanobenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-cyanobenzamide (CID 7688668) is N-(2-tert-butylphenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-cyanobenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-cyanobenzamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-cyanobenzamide?
The InChIKey is SOJFMOGMHMPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)14-10-8-13(12-19)9-11-14/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-(2-tert-butylphenyl)-4-cyanobenzamide?
N-(2-tert-butylphenyl)-4-cyanobenzamide has a molecular weight of 278.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-cyanobenzamide is sourced from PubChem (CID 7688668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).