N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide

C19H21F3N2O3 — CID 9349258

IUPACN-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C19H21F3N2O3/c1-3-24(11-13-4-9-17(26-2)16(20)10-13)12-18(25)23-14-5-7-15(8-6-14)27-19(21)22/h4-10,19H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyFGEGOYOGWNXWPF-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.90
Rot. Bonds9

About N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 9349258) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
PubChem CID9349258
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C19H21F3N2O3/c1-3-24(11-13-4-9-17(26-2)16(20)10-13)12-18(25)23-14-5-7-15(8-6-14)27-19(21)22/h4-10,19H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyFGEGOYOGWNXWPF-UHFFFAOYSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide with MolForge

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Related Compounds

methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9046569
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349330
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-ethylamino]acetic acid
CID 61012005
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide (CID 9349258) is N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is FGEGOYOGWNXWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-3-24(11-13-4-9-17(26-2)16(20)10-13)12-18(25)23-14-5-7-15(8-6-14)27-19(21)22/h4-10,19H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 382.38 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9349258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).