ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate

C16H24F2N2O2 — CID 47028705

IUPACethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNCc1ccc(F)cc1F)CC(C)C
InChIInChI=1S/C16H24F2N2O2/c1-4-22-16(21)20-14(7-11(2)3)10-19-9-12-5-6-13(17)8-15(12)18/h5-6,8,11,14,19H,4,7,9-10H2,1-3H3,(H,20,21)
InChIKeyBVTJDNONORYRNN-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.22
Rot. Bonds8

About ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate (PubChem CID 47028705) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate
PubChem CID47028705
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nameethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNCc1ccc(F)cc1F)CC(C)C
InChIInChI=1S/C16H24F2N2O2/c1-4-22-16(21)20-14(7-11(2)3)10-19-9-12-5-6-13(17)8-15(12)18/h5-6,8,11,14,19H,4,7,9-10H2,1-3H3,(H,20,21)
InChIKeyBVTJDNONORYRNN-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate (CID 47028705) is ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNCc1ccc(F)cc1F)CC(C)C.
What is the InChIKey of ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate?
The InChIKey is BVTJDNONORYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-4-22-16(21)20-14(7-11(2)3)10-19-9-12-5-6-13(17)8-15(12)18/h5-6,8,11,14,19H,4,7,9-10H2,1-3H3,(H,20,21).
What are the key properties of ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2,4-difluorophenyl)methylamino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 47028705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).