N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide

C19H21BrF2N2O3 — CID 78833894

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21BrF2N2O3/c1-4-24(10-12-5-6-16(26-2)17(7-12)27-3)11-18(25)23-19-14(20)8-13(21)9-15(19)22/h5-9H,4,10-11H2,1-3H3,(H,23,25)
InChIKeyKTYQRXVEBFUABN-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.21
Rot. Bonds8

About N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 78833894) has the molecular formula C19H21BrF2N2O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
PubChem CID78833894
Molecular FormulaC19H21BrF2N2O3
Molecular Weight443.29 g/mol
Exact Mass442.07
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21BrF2N2O3/c1-4-24(10-12-5-6-16(26-2)17(7-12)27-3)11-18(25)23-19-14(20)8-13(21)9-15(19)22/h5-9H,4,10-11H2,1-3H3,(H,23,25)
InChIKeyKTYQRXVEBFUABN-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 111519510
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 46516037
1-(2-bromo-4,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 19679760
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
2-[[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetic acid
CID 91645749
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide (CID 78833894) is N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide is CCN(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is KTYQRXVEBFUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrF2N2O3/c1-4-24(10-12-5-6-16(26-2)17(7-12)27-3)11-18(25)23-19-14(20)8-13(21)9-15(19)22/h5-9H,4,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 443.29 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 78833894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).