5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide

C24H29BrN2O3 — CID 28587804

IUPAC5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29BrN2O3/c1-16(2)15-30-22-13-10-18(25)14-21(22)24(29)27-20-11-8-17(9-12-20)23(28)26-19-6-4-3-5-7-19/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNNVZEGDSLLEDGH-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.80
Rot. Bonds7

About 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide

5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 28587804) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID28587804
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29BrN2O3/c1-16(2)15-30-22-13-10-18(25)14-21(22)24(29)27-20-11-8-17(9-12-20)23(28)26-19-6-4-3-5-7-19/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNNVZEGDSLLEDGH-UHFFFAOYSA-N
XLogP5.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 28587949
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 17050985
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
CID 17188557
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-2-(2-methylpropoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17050773
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-(2-methylpropoxy)benzamide
CID 17199392
5-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051104
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide (CID 28587804) is 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is NNVZEGDSLLEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-16(2)15-30-22-13-10-18(25)14-21(22)24(29)27-20-11-8-17(9-12-20)23(28)26-19-6-4-3-5-7-19/h8-14,16,19H,3-7,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 473.41 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(cyclohexylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 28587804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).