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

C21H24ClNO2 — CID 17137638

IUPAC4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCC2CCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c22-18-8-6-17(7-9-18)21(24)23-19-10-12-20(13-11-19)25-15-14-16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,23,24)
InChIKeyKOZTZCPLRDOZTF-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.94
Rot. Bonds6

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

4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide (PubChem CID 17137638) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
PubChem CID17137638
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCC2CCCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c22-18-8-6-17(7-9-18)21(24)23-19-10-12-20(13-11-19)25-15-14-16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,23,24)
InChIKeyKOZTZCPLRDOZTF-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
2-(4-chlorophenyl)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137705
3,5-dichloro-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide
CID 17137923
methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178646
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 17137888
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17137887
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
CID 20984298
3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
CID 17137779
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide (CID 17137638) is 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCC2CCCCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide?
The InChIKey is KOZTZCPLRDOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-18-8-6-17(7-9-18)21(24)23-19-10-12-20(13-11-19)25-15-14-16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H,23,24).
What are the key properties of 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide?
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide has a molecular weight of 357.88 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide is sourced from PubChem (CID 17137638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).