ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate

C17H18F2N2O3 — CID 10472179

IUPACethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-3-24-17(22)21-15-7-6-13(9-16(15)23-2)20-10-11-4-5-12(18)8-14(11)19/h4-9,20H,3,10H2,1-2H3,(H,21,22)
InChIKeyXDKSFHCRKBLVPN-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.15
Rot. Bonds6

About ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate

ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate (PubChem CID 10472179) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate
PubChem CID10472179
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Nameethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-3-24-17(22)21-15-7-6-13(9-16(15)23-2)20-10-11-4-5-12(18)8-14(11)19/h4-9,20H,3,10H2,1-2H3,(H,21,22)
InChIKeyXDKSFHCRKBLVPN-UHFFFAOYSA-N
XLogP4.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate (CID 10472179) is ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1OC.
What is the InChIKey of ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The InChIKey is XDKSFHCRKBLVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-3-24-17(22)21-15-7-6-13(9-16(15)23-2)20-10-11-4-5-12(18)8-14(11)19/h4-9,20H,3,10H2,1-2H3,(H,21,22).
What are the key properties of ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate has a molecular weight of 336.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 10472179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).