N-(2-bromopentyl)-3-propoxybenzamide

C15H22BrNO2 — CID 113496505

IUPACN-(2-bromopentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(Br)CCC)c1
InChIInChI=1S/C15H22BrNO2/c1-3-6-13(16)11-17-15(18)12-7-5-8-14(10-12)19-9-4-2/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,17,18)
InChIKeyVOWIEBWAZVOBOB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.77
Rot. Bonds8

About N-(2-bromopentyl)-3-propoxybenzamide

N-(2-bromopentyl)-3-propoxybenzamide (PubChem CID 113496505) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(2-bromopentyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-3-propoxybenzamide
PubChem CID113496505
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(2-bromopentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(Br)CCC)c1
InChIInChI=1S/C15H22BrNO2/c1-3-6-13(16)11-17-15(18)12-7-5-8-14(10-12)19-9-4-2/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,17,18)
InChIKeyVOWIEBWAZVOBOB-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-3-propoxybenzamide?
The IUPAC name of N-(2-bromopentyl)-3-propoxybenzamide (CID 113496505) is N-(2-bromopentyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-bromopentyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-bromopentyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(Br)CCC)c1.
What is the InChIKey of N-(2-bromopentyl)-3-propoxybenzamide?
The InChIKey is VOWIEBWAZVOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-6-13(16)11-17-15(18)12-7-5-8-14(10-12)19-9-4-2/h5,7-8,10,13H,3-4,6,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromopentyl)-3-propoxybenzamide?
N-(2-bromopentyl)-3-propoxybenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-3-propoxybenzamide is sourced from PubChem (CID 113496505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).