methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate

C24H24F2N2O3 — CID 70189121

IUPACmethyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H24F2N2O3/c1-15(17-9-12-21(25)22(26)14-17)27-23(16-7-10-20(30-2)11-8-16)18-5-4-6-19(13-18)28-24(29)31-3/h4-15,23,27H,1-3H3,(H,28,29)
InChIKeyHWKRQTNYCWQPJQ-UHFFFAOYSA-N
MW426.46 g/mol
LogP5.59
Rot. Bonds7

About methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate

methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate (PubChem CID 70189121) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate
PubChem CID70189121
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Namemethyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H24F2N2O3/c1-15(17-9-12-21(25)22(26)14-17)27-23(16-7-10-20(30-2)11-8-16)18-5-4-6-19(13-18)28-24(29)31-3/h4-15,23,27H,1-3H3,(H,28,29)
InChIKeyHWKRQTNYCWQPJQ-UHFFFAOYSA-N
XLogP5.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate with MolForge

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Related Compounds

(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]ethanamine
CID 70189816
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]-1-(3,4,5-trifluorophenyl)ethanamine
CID 18334139
5-[[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139838001
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]-4-methoxyaniline
CID 18347046
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
ethyl 3-[(4-methoxyphenyl)-[[(1R)-1-phenylethyl]amino]methyl]benzoate
CID 139837900
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
CID 115004244

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate (CID 70189121) is methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate is COC(=O)Nc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(OC)cc2)c1.
What is the InChIKey of methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate?
The InChIKey is HWKRQTNYCWQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c1-15(17-9-12-21(25)22(26)14-17)27-23(16-7-10-20(30-2)11-8-16)18-5-4-6-19(13-18)28-24(29)31-3/h4-15,23,27H,1-3H3,(H,28,29).
What are the key properties of methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate?
methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate has a molecular weight of 426.46 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]carbamate is sourced from PubChem (CID 70189121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).