N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide

C13H16BrClFNO — CID 107206107

IUPACN-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16BrClFNO/c1-17(9-4-2-3-8-14)13(18)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3
InChIKeyCNGZFNKCAMUJEN-UHFFFAOYSA-N
MW336.63 g/mol
LogP4.12
Rot. Bonds6

About N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide

N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide (PubChem CID 107206107) has the molecular formula C13H16BrClFNO and a molecular weight of 336.63 g/mol. Its IUPAC name is N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
PubChem CID107206107
Molecular FormulaC13H16BrClFNO
Molecular Weight336.63 g/mol
Exact Mass335.01
IUPAC NameN-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16BrClFNO/c1-17(9-4-2-3-8-14)13(18)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3
InChIKeyCNGZFNKCAMUJEN-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-amino-3-sulfanylidenepropyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265606
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-[(3-bromocyclobutyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81262623
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide (CID 107206107) is N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide is CN(CCCCCBr)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is CNGZFNKCAMUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClFNO/c1-17(9-4-2-3-8-14)13(18)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3.
What are the key properties of N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide?
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 336.63 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 107206107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).