5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide

C10H10BrClFNO — CID 63391568

IUPAC5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrClFNO/c1-14(5-4-12)10(15)8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyCSMPNMOESDRROJ-UHFFFAOYSA-N
MW294.55 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide

5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide (PubChem CID 63391568) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
PubChem CID63391568
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrClFNO/c1-14(5-4-12)10(15)8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyCSMPNMOESDRROJ-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 52.90
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

5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide (CID 63391568) is 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide is CN(CCCl)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide?
The InChIKey is CSMPNMOESDRROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-14(5-4-12)10(15)8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide?
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide has a molecular weight of 294.55 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 63391568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).