5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide

C24H29BrN2O3 — CID 17351509

IUPAC5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-3-15-30-22-14-13-17(25)16-20(22)23(28)26-21-12-8-7-11-19(21)24(29)27(2)18-9-5-4-6-10-18/h7-8,11-14,16,18H,3-6,9-10,15H2,1-2H3,(H,26,28)
InChIKeyHXXAAKWILYSASO-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.89
Rot. Bonds7

About 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide

5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide (PubChem CID 17351509) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
PubChem CID17351509
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-3-15-30-22-14-13-17(25)16-20(22)23(28)26-21-12-8-7-11-19(21)24(29)27(2)18-9-5-4-6-10-18/h7-8,11-14,16,18H,3-6,9-10,15H2,1-2H3,(H,26,28)
InChIKeyHXXAAKWILYSASO-UHFFFAOYSA-N
XLogP5.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352057
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350455
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide (CID 17351509) is 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide?
The InChIKey is HXXAAKWILYSASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-3-15-30-22-14-13-17(25)16-20(22)23(28)26-21-12-8-7-11-19(21)24(29)27(2)18-9-5-4-6-10-18/h7-8,11-14,16,18H,3-6,9-10,15H2,1-2H3,(H,26,28).
What are the key properties of 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide?
5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide has a molecular weight of 473.41 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide is sourced from PubChem (CID 17351509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).