N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide

C11H12BrCl2NO — CID 106441473

IUPACN-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-15(4-2-3-12)11(16)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3
InChIKeyVOSLYKDQHYXRSO-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.85
Rot. Bonds4

About N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide

N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide (PubChem CID 106441473) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
PubChem CID106441473
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-15(4-2-3-12)11(16)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3
InChIKeyVOSLYKDQHYXRSO-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.85
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

3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
CID 80665958
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-(3-aminopropyl)-3-chloro-N-methyl-5-nitrobenzamide
CID 81482902
N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
CID 80671670

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide (CID 106441473) is N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide is CN(CCCBr)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide?
The InChIKey is VOSLYKDQHYXRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-15(4-2-3-12)11(16)8-5-9(13)7-10(14)6-8/h5-7H,2-4H2,1H3.
What are the key properties of N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide?
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide has a molecular weight of 325.03 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 106441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).