(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate

C18H16BrF4NO2 — CID 66607252

IUPAC(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C18H16BrF4NO2/c1-2-24(17(25)26-11-12-3-6-15(20)7-4-12)10-13-9-14(18(21,22)23)5-8-16(13)19/h3-9H,2,10-11H2,1H3
InChIKeyMAVCDYPEGDPTTB-UHFFFAOYSA-N
MW434.23 g/mol
LogP5.77
Rot. Bonds5

About (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate

(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate (PubChem CID 66607252) has the molecular formula C18H16BrF4NO2 and a molecular weight of 434.23 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate
PubChem CID66607252
Molecular FormulaC18H16BrF4NO2
Molecular Weight434.23 g/mol
Exact Mass433.03
IUPAC Name(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C18H16BrF4NO2/c1-2-24(17(25)26-11-12-3-6-15(20)7-4-12)10-13-9-14(18(21,22)23)5-8-16(13)19/h3-9H,2,10-11H2,1H3
InChIKeyMAVCDYPEGDPTTB-UHFFFAOYSA-N
XLogP5.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.23
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2R,3S)-2-(2-bromophenyl)-4-methylene-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 145453128
benzyl N-[(1S)-1-(4-bromophenyl)-2,2,3,3-tetrafluoropent-4-enyl]carbamate
CID 178251673
benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
CID 19695037
3-((1S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 44231035
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 53472939
3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 53472941
(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 53473487
(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 58109194
3-[(1S)-1-(4-bromophenyl)propyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 58109270
3-[(2-Bromophenyl)methyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 58109306
(6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-fluoro-2-methylpropyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 58109344
6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-4-methyl-1,3-oxazinan-2-one
CID 58109416

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate (CID 66607252) is (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate is CCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate?
The InChIKey is MAVCDYPEGDPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF4NO2/c1-2-24(17(25)26-11-12-3-6-15(20)7-4-12)10-13-9-14(18(21,22)23)5-8-16(13)19/h3-9H,2,10-11H2,1H3.
What are the key properties of (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate?
(4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate has a molecular weight of 434.23 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 66607252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).