4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide

C21H21ClF2N2O2 — CID 56658396

IUPAC4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27)
InChIKeyGYRWLOMLEBDSRS-UHFFFAOYSA-N
MW406.86 g/mol
LogP5.03
Rot. Bonds5

About 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide

4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide (PubChem CID 56658396) has the molecular formula C21H21ClF2N2O2 and a molecular weight of 406.86 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide
PubChem CID56658396
Molecular FormulaC21H21ClF2N2O2
Molecular Weight406.86 g/mol
Exact Mass406.13
IUPAC Name4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27)
InChIKeyGYRWLOMLEBDSRS-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.86
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide (CID 56658396) is 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide is O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is GYRWLOMLEBDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27).
What are the key properties of 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide?
4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 406.86 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 56658396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).