5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide

C14H20BrNO2 — CID 107199883

IUPAC5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-12(15)10-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyRJZHHHYYXPBGRK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.99
Rot. Bonds6

About 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide

5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (PubChem CID 107199883) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
PubChem CID107199883
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20BrNO2/c1-11-6-7-12(15)10-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyRJZHHHYYXPBGRK-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide 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-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-2-hydrazinyl-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107204449
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (CID 107199883) is 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)CCCCCO.
What is the InChIKey of 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The InChIKey is RJZHHHYYXPBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-6-7-12(15)10-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 107199883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).