4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide

C22H25ClN2O3 — CID 43878541

IUPAC4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-15(28-20-10-6-5-9-19(20)23)21(26)24-18-13-11-16(12-14-18)22(27)25-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyULBWCPHJOOPEIM-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.81
Rot. Bonds6

About 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide

4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide (PubChem CID 43878541) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
PubChem CID43878541
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-15(28-20-10-6-5-9-19(20)23)21(26)24-18-13-11-16(12-14-18)22(27)25-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyULBWCPHJOOPEIM-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
CID 43887800
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
4-acetamido-N-cyclooctylbenzamide
CID 2990044
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide (CID 43878541) is 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The InChIKey is ULBWCPHJOOPEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15(28-20-10-6-5-9-19(20)23)21(26)24-18-13-11-16(12-14-18)22(27)25-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide has a molecular weight of 400.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 43878541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).