methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate

C26H20F9NO3 — CID 11505058

IUPACmethyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cccc(OC)c1
InChIInChI=1S/C26H20F9NO3/c1-38-21-5-3-4-16(11-21)22-7-6-18(24(27,28)29)10-17(22)14-36(23(37)39-2)13-15-8-19(25(30,31)32)12-20(9-15)26(33,34)35/h3-12H,13-14H2,1-2H3
InChIKeyYSSIAYBTPOTNJA-UHFFFAOYSA-N
MW565.43 g/mol
LogP8.19
Rot. Bonds6

About methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate

methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 11505058) has the molecular formula C26H20F9NO3 and a molecular weight of 565.43 g/mol. Its IUPAC name is methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID11505058
Molecular FormulaC26H20F9NO3
Molecular Weight565.43 g/mol
Exact Mass565.13
IUPAC Namemethyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cccc(OC)c1
InChIInChI=1S/C26H20F9NO3/c1-38-21-5-3-4-16(11-21)22-7-6-18(24(27,28)29)10-17(22)14-36(23(37)39-2)13-15-8-19(25(30,31)32)12-20(9-15)26(33,34)35/h3-12H,13-14H2,1-2H3
InChIKeyYSSIAYBTPOTNJA-UHFFFAOYSA-N
XLogP8.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
CID 59343867
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-isoquinolin-5-yl-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 11664295
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
4-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]methyl]-4-(trifluoromethyl)phenyl]-4-chlorophenyl]-3-fluorobenzoic acid
CID 16730184
2-[3-[2-[[ethyl(methoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]acetic acid
CID 87072219
methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 11635228
methyl N-[[3-iodo-5-(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 86615395
methyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 11699642
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 87265030
methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 11520094
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 11678756
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-cyano-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]carbamate
CID 11613843

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate (CID 11505058) is methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate is COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cccc(OC)c1.
What is the InChIKey of methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is YSSIAYBTPOTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F9NO3/c1-38-21-5-3-4-16(11-21)22-7-6-18(24(27,28)29)10-17(22)14-36(23(37)39-2)13-15-8-19(25(30,31)32)12-20(9-15)26(33,34)35/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate?
methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 565.43 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 11505058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).