N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide

C12H15BrFNO2 — CID 107677720

IUPACN-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
SMILESCCN(CCCBr)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-15(7-3-6-13)12(17)10-5-4-9(16)8-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyUGHUBBHIBAAZTR-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.78
Rot. Bonds5

About N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide

N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide (PubChem CID 107677720) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
PubChem CID107677720
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
SMILESCCN(CCCBr)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H15BrFNO2/c1-2-15(7-3-6-13)12(17)10-5-4-9(16)8-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyUGHUBBHIBAAZTR-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.78
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

N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-(2-bromoethyl)-N-ethyl-2-fluoro-4-nitrobenzamide
CID 80660162
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide (CID 107677720) is N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide is CCN(CCCBr)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The InChIKey is UGHUBBHIBAAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-15(7-3-6-13)12(17)10-5-4-9(16)8-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).