N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide

C17H15BrCl2FNO3 — CID 27447242

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H15BrCl2FNO3/c1-24-15-5-9(11(18)7-16(15)25-2)3-4-22-17(23)10-6-14(21)13(20)8-12(10)19/h5-8H,3-4H2,1-2H3,(H,22,23)
InChIKeyRCUWZDCFLACJGQ-UHFFFAOYSA-N
MW451.12 g/mol
LogP4.88
Rot. Bonds6

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide (PubChem CID 27447242) has the molecular formula C17H15BrCl2FNO3 and a molecular weight of 451.12 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide
PubChem CID27447242
Molecular FormulaC17H15BrCl2FNO3
Molecular Weight451.12 g/mol
Exact Mass448.96
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H15BrCl2FNO3/c1-24-15-5-9(11(18)7-16(15)25-2)3-4-22-17(23)10-6-14(21)13(20)8-12(10)19/h5-8H,3-4H2,1-2H3,(H,22,23)
InChIKeyRCUWZDCFLACJGQ-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
CID 9247147
2-(2-bromo-4,5-dimethoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9211024
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
CID 46483761
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24551293
4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 24517297
4-acetyl-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 17475469
2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55386908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide (CID 27447242) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide is COc1cc(Br)c(CCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide?
The InChIKey is RCUWZDCFLACJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2FNO3/c1-24-15-5-9(11(18)7-16(15)25-2)3-4-22-17(23)10-6-14(21)13(20)8-12(10)19/h5-8H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide has a molecular weight of 451.12 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide is sourced from PubChem (CID 27447242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).