2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate

C18H20FN3O4 — CID 47077792

IUPAC2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H20FN3O4/c1-25-8-9-26-18(24)22-16-7-3-5-14(11-16)20-12-17(23)21-15-6-2-4-13(19)10-15/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXAEJKVQKOOYMIS-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.07
Rot. Bonds8

About 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate

2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate (PubChem CID 47077792) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
PubChem CID47077792
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H20FN3O4/c1-25-8-9-26-18(24)22-16-7-3-5-14(11-16)20-12-17(23)21-15-6-2-4-13(19)10-15/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXAEJKVQKOOYMIS-UHFFFAOYSA-N
XLogP3.07
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
CID 47741134
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
2-methoxyethyl N-[3-[[2-(furan-3-carbonylamino)acetyl]amino]phenyl]carbamate
CID 47934073
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate (CID 47077792) is 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NCC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate?
The InChIKey is XAEJKVQKOOYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-25-8-9-26-18(24)22-16-7-3-5-14(11-16)20-12-17(23)21-15-6-2-4-13(19)10-15/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate?
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate has a molecular weight of 361.37 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate is sourced from PubChem (CID 47077792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).