2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide

C16H21BrClNO2 — CID 103763503

IUPAC2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H21BrClNO2/c17-15-11-12(18)7-8-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyUUIHGJLBSUMZAZ-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.57
Rot. Bonds6

About 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide

2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide (PubChem CID 103763503) has the molecular formula C16H21BrClNO2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
PubChem CID103763503
Molecular FormulaC16H21BrClNO2
Molecular Weight374.71 g/mol
Exact Mass373.04
IUPAC Name2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H21BrClNO2/c17-15-11-12(18)7-8-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyUUIHGJLBSUMZAZ-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
CID 26549820
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide (CID 103763503) is 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide is O=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide?
The InChIKey is UUIHGJLBSUMZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO2/c17-15-11-12(18)7-8-14(15)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20).
What are the key properties of 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide?
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide has a molecular weight of 374.71 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide is sourced from PubChem (CID 103763503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).