N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide

C11H13BrFNO2 — CID 81284858

IUPACN-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCBr)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyKOWASPYCSLVXFP-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.35
Rot. Bonds5

About N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide

N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81284858) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
PubChem CID81284858
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCBr)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyKOWASPYCSLVXFP-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
N-(3-bromopropyl)-3-methoxy-4-nitrobenzamide
CID 104783553
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide (CID 81284858) is N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCCCBr)ccc1F.
What is the InChIKey of N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is KOWASPYCSLVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-16-10-7-8(3-4-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide?
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81284858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).