N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide

C11H12BrClFNO — CID 106441252

IUPACN-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12BrClFNO/c1-15(6-2-5-12)11(16)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMOUNENFASVYKPZ-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.34
Rot. Bonds4

About N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide

N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide (PubChem CID 106441252) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
PubChem CID106441252
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12BrClFNO/c1-15(6-2-5-12)11(16)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMOUNENFASVYKPZ-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 54992211
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide (CID 106441252) is N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide is CN(CCCBr)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is MOUNENFASVYKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-15(6-2-5-12)11(16)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide?
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 308.58 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 106441252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).