ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

C18H20FN3O3 — CID 10405282

IUPACethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1NC(C)=O
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)22-16-9-8-15(10-17(16)21-12(2)23)20-11-13-4-6-14(19)7-5-13/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWTBNFPPGFIYENJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.96
Rot. Bonds6

About ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate (PubChem CID 10405282) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
PubChem CID10405282
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Nameethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1NC(C)=O
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)22-16-9-8-15(10-17(16)21-12(2)23)20-11-13-4-6-14(19)7-5-13/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWTBNFPPGFIYENJ-UHFFFAOYSA-N
XLogP3.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate (CID 10405282) is ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1NC(C)=O.
What is the InChIKey of ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate?
The InChIKey is WTBNFPPGFIYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-25-18(24)22-16-9-8-15(10-17(16)21-12(2)23)20-11-13-4-6-14(19)7-5-13/h4-10,20H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate?
ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-acetamido-4-[(4-fluorophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 10405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).