2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide

C23H27BrN2O3 — CID 26549820

IUPAC2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCOC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C23H27BrN2O3/c24-20-13-6-4-11-18(20)23(28)26-21-14-7-5-12-19(21)22(27)25-15-8-16-29-17-9-2-1-3-10-17/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,25,27)(H,26,28)
InChIKeyVFUHFUHRAVVLJR-UHFFFAOYSA-N
MW459.38 g/mol
LogP5.17
Rot. Bonds8

About 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide

2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide (PubChem CID 26549820) has the molecular formula C23H27BrN2O3 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
PubChem CID26549820
Molecular FormulaC23H27BrN2O3
Molecular Weight459.38 g/mol
Exact Mass458.12
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCOC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C23H27BrN2O3/c24-20-13-6-4-11-18(20)23(28)26-21-14-7-5-12-19(21)22(27)25-15-8-16-29-17-9-2-1-3-10-17/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,25,27)(H,26,28)
InChIKeyVFUHFUHRAVVLJR-UHFFFAOYSA-N
XLogP5.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
CID 39950494
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide (CID 26549820) is 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide is O=C(Nc1ccccc1C(=O)NCCCOC1CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide?
The InChIKey is VFUHFUHRAVVLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O3/c24-20-13-6-4-11-18(20)23(28)26-21-14-7-5-12-19(21)22(27)25-15-8-16-29-17-9-2-1-3-10-17/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,25,27)(H,26,28).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide has a molecular weight of 459.38 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide is sourced from PubChem (CID 26549820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).