4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide

C24H22N2O2 — CID 44723465

IUPAC4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-3-4-18-5-9-20(10-6-18)24(27)26-21-11-15-23(16-12-21)28-22-13-7-19(17-25)8-14-22/h5-16H,2-4H2,1H3,(H,26,27)
InChIKeyQZWBFCYUAQZWGH-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.95
Rot. Bonds7

About 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide

4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide (PubChem CID 44723465) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
PubChem CID44723465
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-3-4-18-5-9-20(10-6-18)24(27)26-21-11-15-23(16-12-21)28-22-13-7-19(17-25)8-14-22/h5-16H,2-4H2,1H3,(H,26,27)
InChIKeyQZWBFCYUAQZWGH-UHFFFAOYSA-N
XLogP5.95
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
CID 158179575
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
CID 7698438
4-(4-propylphenoxy)benzonitrile
CID 20986267
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide?
The IUPAC name of 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide (CID 44723465) is 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide?
The canonical SMILES for 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide is CCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide?
The InChIKey is QZWBFCYUAQZWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-3-4-18-5-9-20(10-6-18)24(27)26-21-11-15-23(16-12-21)28-22-13-7-19(17-25)8-14-22/h5-16H,2-4H2,1H3,(H,26,27).
What are the key properties of 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide?
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide is sourced from PubChem (CID 44723465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).