5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide

C23H26BrClN2O3 — CID 17188557

IUPAC5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H26BrClN2O3/c1-14(2)30-21-11-8-15(24)12-19(21)23(29)27-17-9-10-20(25)18(13-17)22(28)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,26,28)(H,27,29)
InChIKeySDUICUQNOKWRER-UHFFFAOYSA-N
MW493.83 g/mol
LogP6.20
Rot. Bonds6

About 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide

5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide (PubChem CID 17188557) has the molecular formula C23H26BrClN2O3 and a molecular weight of 493.83 g/mol. Its IUPAC name is 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound Name5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
PubChem CID17188557
Molecular FormulaC23H26BrClN2O3
Molecular Weight493.83 g/mol
Exact Mass492.08
IUPAC Name5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H26BrClN2O3/c1-14(2)30-21-11-8-15(24)12-19(21)23(29)27-17-9-10-20(25)18(13-17)22(28)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,26,28)(H,27,29)
InChIKeySDUICUQNOKWRER-UHFFFAOYSA-N
XLogP6.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.83
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 28587949
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28587804
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
CID 54777470
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475
3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 17188702
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide?
The IUPAC name of 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide (CID 17188557) is 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide?
The canonical SMILES for 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide?
The InChIKey is SDUICUQNOKWRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrClN2O3/c1-14(2)30-21-11-8-15(24)12-19(21)23(29)27-17-9-10-20(25)18(13-17)22(28)26-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide?
5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide has a molecular weight of 493.83 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 17188557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).