tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate

C27H28F2N4O5 — CID 59852914

IUPACtert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
SMILESCCc1c(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C27H28F2N4O5/c1-5-19-21(12-13-30-24(19)33-26(36)38-27(2,3)4)37-22-11-10-18(15-20(22)29)31-25(35)32-23(34)14-16-6-8-17(28)9-7-16/h6-13,15H,5,14H2,1-4H3,(H,30,33,36)(H2,31,32,34,35)
InChIKeySDHTWLDZXKIUPH-UHFFFAOYSA-N
MW526.54 g/mol
LogP5.95
Rot. Bonds7

About tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate

tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate (PubChem CID 59852914) has the molecular formula C27H28F2N4O5 and a molecular weight of 526.54 g/mol. Its IUPAC name is tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
PubChem CID59852914
Molecular FormulaC27H28F2N4O5
Molecular Weight526.54 g/mol
Exact Mass526.20
IUPAC Nametert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
SMILESCCc1c(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C27H28F2N4O5/c1-5-19-21(12-13-30-24(19)33-26(36)38-27(2,3)4)37-22-11-10-18(15-20(22)29)31-25(35)32-23(34)14-16-6-8-17(28)9-7-16/h6-13,15H,5,14H2,1-4H3,(H,30,33,36)(H2,31,32,34,35)
InChIKeySDHTWLDZXKIUPH-UHFFFAOYSA-N
XLogP5.95
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate 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-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081474
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743
2-(4-fluorophenyl)-N-[[3-fluoro-4-[(3-pyridin-2-yl-4-pyridinyl)oxy]phenyl]carbamoyl]acetamide
CID 70791054
tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 59588862
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid
CID 172690121
tert-butyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59853072
2-(4-fluorophenyl)-N-[[3-fluoro-4-[[3-[3-[(2-pyrrolidin-1-ylacetyl)amino]prop-1-ynyl]-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide;dihydrochloride
CID 25197195
N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58249343
N-[[4-(6-chloropyrimidin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 11553844
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
CID 91355190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate (CID 59852914) is tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate is CCc1c(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate?
The InChIKey is SDHTWLDZXKIUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O5/c1-5-19-21(12-13-30-24(19)33-26(36)38-27(2,3)4)37-22-11-10-18(15-20(22)29)31-25(35)32-23(34)14-16-6-8-17(28)9-7-16/h6-13,15H,5,14H2,1-4H3,(H,30,33,36)(H2,31,32,34,35).
What are the key properties of tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate?
tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate has a molecular weight of 526.54 g/mol, XLogP of 5.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 59852914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).