N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

C21H22N2O — CID 11381576

IUPACN-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C21H22N2O/c1-15(13-21(2,3)4)17-8-10-18(11-9-17)20(24)23-19-7-5-6-16(12-19)14-22/h5-13H,1-4H3,(H,23,24)/b15-13+
InChIKeyQNJWMTCXBTZOHH-FYWRMAATSA-N
MW318.42 g/mol
LogP5.26
Rot. Bonds3

About N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (PubChem CID 11381576) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
PubChem CID11381576
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C21H22N2O/c1-15(13-21(2,3)4)17-8-10-18(11-9-17)20(24)23-19-7-5-6-16(12-19)14-22/h5-13H,1-4H3,(H,23,24)/b15-13+
InChIKeyQNJWMTCXBTZOHH-FYWRMAATSA-N
XLogP5.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
3-bromo-4-tert-butyl-N-(3-cyanophenyl)benzamide
CID 1014173
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (CID 11381576) is N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is C/C(=C\C(C)(C)C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The InChIKey is QNJWMTCXBTZOHH-FYWRMAATSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(13-21(2,3)4)17-8-10-18(11-9-17)20(24)23-19-7-5-6-16(12-19)14-22/h5-13H,1-4H3,(H,23,24)/b15-13+.
What are the key properties of N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is sourced from PubChem (CID 11381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).