2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide

C26H31ClN2O2 — CID 2214995

IUPAC2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C26H31ClN2O2/c27-24-14-8-7-13-23(24)25(30)28-20-17-15-19(16-18-20)26(31)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22H,1-6,9-12H2,(H,28,30)
InChIKeyYEWDGRIQTKNXHE-UHFFFAOYSA-N
MW439.00 g/mol
LogP6.70
Rot. Bonds5

About 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide

2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide (PubChem CID 2214995) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
PubChem CID2214995
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC Name2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C26H31ClN2O2/c27-24-14-8-7-13-23(24)25(30)28-20-17-15-19(16-18-20)26(31)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22H,1-6,9-12H2,(H,28,30)
InChIKeyYEWDGRIQTKNXHE-UHFFFAOYSA-N
XLogP6.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide (CID 2214995) is 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide?
The InChIKey is YEWDGRIQTKNXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O2/c27-24-14-8-7-13-23(24)25(30)28-20-17-15-19(16-18-20)26(31)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13-18,21-22H,1-6,9-12H2,(H,28,30).
What are the key properties of 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide?
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide has a molecular weight of 439.00 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2214995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).