2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide

C22H24Cl2N2O3 — CID 17188484

IUPAC2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H24Cl2N2O3/c1-14(29-18-10-7-15(23)8-11-18)21(27)26-17-9-12-20(24)19(13-17)22(28)25-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,25,28)(H,26,27)
InChIKeyBOZRXNBAXPTJMG-UHFFFAOYSA-N
MW435.35 g/mol
LogP5.46
Rot. Bonds6

About 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide

2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide (PubChem CID 17188484) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
PubChem CID17188484
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H24Cl2N2O3/c1-14(29-18-10-7-15(23)8-11-18)21(27)26-17-9-12-20(24)19(13-17)22(28)25-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,25,28)(H,26,27)
InChIKeyBOZRXNBAXPTJMG-UHFFFAOYSA-N
XLogP5.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide
CID 55805243
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
CID 17188557
N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17170605
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide (CID 17188484) is 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
The InChIKey is BOZRXNBAXPTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-14(29-18-10-7-15(23)8-11-18)21(27)26-17-9-12-20(24)19(13-17)22(28)25-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide?
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide has a molecular weight of 435.35 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17188484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).