N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide

C17H16BrF2NO3 — CID 9247147

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-7-10(14(18)9-16(15)24-2)3-4-21-17(22)11-5-12(19)8-13(20)6-11/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyZLMNLBAWODWUFG-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide (PubChem CID 9247147) has the molecular formula C17H16BrF2NO3 and a molecular weight of 400.22 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
PubChem CID9247147
Molecular FormulaC17H16BrF2NO3
Molecular Weight400.22 g/mol
Exact Mass399.03
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C17H16BrF2NO3/c1-23-15-7-10(14(18)9-16(15)24-2)3-4-21-17(22)11-5-12(19)8-13(20)6-11/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyZLMNLBAWODWUFG-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,4-dichloro-5-fluorobenzamide
CID 27447242
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
N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 32623799
4-acetyl-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 17475469
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
5-fluoro-3-N-[2-(4-methoxynaphthalen-1-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367826
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
CID 43425592
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888
[4-bromo-2-methoxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 56640944

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide (CID 9247147) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide is COc1cc(Br)c(CCNC(=O)c2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide?
The InChIKey is ZLMNLBAWODWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO3/c1-23-15-7-10(14(18)9-16(15)24-2)3-4-21-17(22)11-5-12(19)8-13(20)6-11/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide has a molecular weight of 400.22 g/mol, XLogP of 3.72, 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]-3,5-difluorobenzamide is sourced from PubChem (CID 9247147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).