N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

C18H20BrFN2O2 — CID 9431404

IUPACN-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C18H20BrFN2O2/c1-12-8-14(5-6-15(12)19)21-18(23)11-22(2)10-13-4-7-17(24-3)16(20)9-13/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyYQUVRQGDSYAMAP-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.98
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 9431404) has the molecular formula C18H20BrFN2O2 and a molecular weight of 395.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID9431404
Molecular FormulaC18H20BrFN2O2
Molecular Weight395.27 g/mol
Exact Mass394.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C18H20BrFN2O2/c1-12-8-14(5-6-15(12)19)21-18(23)11-22(2)10-13-4-7-17(24-3)16(20)9-13/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyYQUVRQGDSYAMAP-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650
N-(4-chloro-3-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 39778498
ethyl (E)-3-[4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]phenyl]prop-2-enoate
CID 18127201
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454
N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431761
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8845299
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (CID 9431404) is N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1F.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is YQUVRQGDSYAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2/c1-12-8-14(5-6-15(12)19)21-18(23)11-22(2)10-13-4-7-17(24-3)16(20)9-13/h4-9H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 395.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9431404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).