2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide

C25H26N2O3 — CID 142339916

IUPAC2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccccc2Oc2ccccc2O)cc1NC1CCCCC1
InChIInChI=1S/C25H26N2O3/c26-25(29)20-15-14-17(16-21(20)27-18-8-2-1-3-9-18)19-10-4-6-12-23(19)30-24-13-7-5-11-22(24)28/h4-7,10-16,18,27-28H,1-3,8-9H2,(H2,26,29)
InChIKeyZVKRBTXPJSZCTB-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.70
Rot. Bonds6

About 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide

2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide (PubChem CID 142339916) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
PubChem CID142339916
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccccc2Oc2ccccc2O)cc1NC1CCCCC1
InChIInChI=1S/C25H26N2O3/c26-25(29)20-15-14-17(16-21(20)27-18-8-2-1-3-9-18)19-10-4-6-12-23(19)30-24-13-7-5-11-22(24)28/h4-7,10-16,18,27-28H,1-3,8-9H2,(H2,26,29)
InChIKeyZVKRBTXPJSZCTB-UHFFFAOYSA-N
XLogP5.70
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide?
The IUPAC name of 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide (CID 142339916) is 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide?
The canonical SMILES for 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide is NC(=O)c1ccc(-c2ccccc2Oc2ccccc2O)cc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide?
The InChIKey is ZVKRBTXPJSZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c26-25(29)20-15-14-17(16-21(20)27-18-8-2-1-3-9-18)19-10-4-6-12-23(19)30-24-13-7-5-11-22(24)28/h4-7,10-16,18,27-28H,1-3,8-9H2,(H2,26,29).
What are the key properties of 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide?
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 142339916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).