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

C14H20BrNO2 — CID 107199925

IUPAC3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20BrNO2/c1-11-12(7-6-8-13(11)15)14(18)16(2)9-4-3-5-10-17/h6-8,17H,3-5,9-10H2,1-2H3
InChIKeyRSNYEPNHHSGNBX-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.99
Rot. Bonds6

About 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide

3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (PubChem CID 107199925) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
PubChem CID107199925
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20BrNO2/c1-11-12(7-6-8-13(11)15)14(18)16(2)9-4-3-5-10-17/h6-8,17H,3-5,9-10H2,1-2H3
InChIKeyRSNYEPNHHSGNBX-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'}

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Related Compounds

3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
CID 114242783
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The IUPAC name of 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (CID 107199925) is 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)CCCCCO.
What is the InChIKey of 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The InChIKey is RSNYEPNHHSGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-12(7-6-8-13(11)15)14(18)16(2)9-4-3-5-10-17/h6-8,17H,3-5,9-10H2,1-2H3.
What are the key properties of 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
3-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 3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 107199925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).