N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide

C22H24Cl2N2O2 — CID 100606317

IUPACN-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24Cl2N2O2/c23-16-12-10-15(19(24)14-16)11-13-21(27)26-20-9-5-4-8-18(20)22(28)25-17-6-2-1-3-7-17/h4-5,8-10,12,14,17H,1-3,6-7,11,13H2,(H,25,28)(H,26,27)
InChIKeySWFCUEYEPAGFBY-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.63
Rot. Bonds6

About N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide

N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide (PubChem CID 100606317) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
PubChem CID100606317
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC NameN-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24Cl2N2O2/c23-16-12-10-15(19(24)14-16)11-13-21(27)26-20-9-5-4-8-18(20)22(28)25-17-6-2-1-3-7-17/h4-5,8-10,12,14,17H,1-3,6-7,11,13H2,(H,25,28)(H,26,27)
InChIKeySWFCUEYEPAGFBY-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17095359
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide (CID 100606317) is N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide is O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide?
The InChIKey is SWFCUEYEPAGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c23-16-12-10-15(19(24)14-16)11-13-21(27)26-20-9-5-4-8-18(20)22(28)25-17-6-2-1-3-7-17/h4-5,8-10,12,14,17H,1-3,6-7,11,13H2,(H,25,28)(H,26,27).
What are the key properties of N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide?
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide has a molecular weight of 419.35 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 100606317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).