2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate

C23H18Cl2F3NO2 — CID 70465486

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18Cl2F3NO2/c24-20-9-8-19(14-21(20)25)29-22(30)31-11-10-15-4-6-16(7-5-15)12-17-2-1-3-18(13-17)23(26,27)28/h1-9,13-14H,10-12H2,(H,29,30)
InChIKeyASVQIJUDKSVKJC-UHFFFAOYSA-N
MW468.30 g/mol
LogP7.39
Rot. Bonds6

About 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 70465486) has the molecular formula C23H18Cl2F3NO2 and a molecular weight of 468.30 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID70465486
Molecular FormulaC23H18Cl2F3NO2
Molecular Weight468.30 g/mol
Exact Mass467.07
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18Cl2F3NO2/c24-20-9-8-19(14-21(20)25)29-22(30)31-11-10-15-4-6-16(7-5-15)12-17-2-1-3-18(13-17)23(26,27)28/h1-9,13-14H,10-12H2,(H,29,30)
InChIKeyASVQIJUDKSVKJC-UHFFFAOYSA-N
XLogP7.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.30
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
CID 70467171
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
CID 70465577
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
2-methoxyethyl N-[3-[3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoylamino]phenyl]carbamate
CID 76870565
[(1S)-2,2,2-trichloro-1-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl] N-(3,4-dichlorophenyl)carbamate
CID 163149557
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate (CID 70465486) is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is ASVQIJUDKSVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F3NO2/c24-20-9-8-19(14-21(20)25)29-22(30)31-11-10-15-4-6-16(7-5-15)12-17-2-1-3-18(13-17)23(26,27)28/h1-9,13-14H,10-12H2,(H,29,30).
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate?
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 468.30 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 70465486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).