N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide

C18H16BrF2NO2 — CID 55596434

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1F)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H16BrF2NO2/c19-13-3-1-2-12(8-13)10-22(15-5-6-15)18(23)11-24-17-7-4-14(20)9-16(17)21/h1-4,7-9,15H,5-6,10-11H2
InChIKeySMISQXDYKPLLBW-UHFFFAOYSA-N
MW396.23 g/mol
LogP4.30
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide (PubChem CID 55596434) has the molecular formula C18H16BrF2NO2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide
PubChem CID55596434
Molecular FormulaC18H16BrF2NO2
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1F)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H16BrF2NO2/c19-13-3-1-2-12(8-13)10-22(15-5-6-15)18(23)11-24-17-7-4-14(20)9-16(17)21/h1-4,7-9,15H,5-6,10-11H2
InChIKeySMISQXDYKPLLBW-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide 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-cyclopropyl-2-(2,4-difluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 43577200
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
N-cyclobutyl-2-(2,4-difluorophenoxy)-N-(3-hydroxypropyl)acetamide
CID 102866483
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
CID 119715240
N-[(3-bromophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)acetamide
CID 41096612
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 78845177
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
cis-(1R,2S)-N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 97077018

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide (CID 55596434) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide is O=C(COc1ccc(F)cc1F)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is SMISQXDYKPLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2NO2/c19-13-3-1-2-12(8-13)10-22(15-5-6-15)18(23)11-24-17-7-4-14(20)9-16(17)21/h1-4,7-9,15H,5-6,10-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 396.23 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 55596434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).