[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid

C18H15F3N2O4 — CID 134348344

IUPAC[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
SMILESO=C(O)NC1CCOc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)10-3-1-4-11(9-10)22-16(24)13-6-2-5-12-14(23-17(25)26)7-8-27-15(12)13/h1-6,9,14,23H,7-8H2,(H,22,24)(H,25,26)
InChIKeyGYEYSTTWECXUFA-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.05
Rot. Bonds3

About [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid

[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid (PubChem CID 134348344) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid.

Molecular Properties

Compound Name[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
PubChem CID134348344
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
SMILESO=C(O)NC1CCOc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cccc21
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)10-3-1-4-11(9-10)22-16(24)13-6-2-5-12-14(23-17(25)26)7-8-27-15(12)13/h1-6,9,14,23H,7-8H2,(H,22,24)(H,25,26)
InChIKeyGYEYSTTWECXUFA-UHFFFAOYSA-N
XLogP4.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[8-[(3,4,5-trifluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348700
1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134096916
[8-[(3,4-difluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348569
N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348335
3-methoxypropyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139340331
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
(4S)-4-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348603
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
[(4S)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamic acid;hydrochloride
CID 134348406
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432

Frequently Asked Questions

What is the IUPAC name of [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid?
The IUPAC name of [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid (CID 134348344) is [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid.
What is the SMILES notation for [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid?
The canonical SMILES for [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid is O=C(O)NC1CCOc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cccc21.
What is the InChIKey of [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid?
The InChIKey is GYEYSTTWECXUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c19-18(20,21)10-3-1-4-11(9-10)22-16(24)13-6-2-5-12-14(23-17(25)26)7-8-27-15(12)13/h1-6,9,14,23H,7-8H2,(H,22,24)(H,25,26).
What are the key properties of [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid?
[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid has a molecular weight of 380.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid is sourced from PubChem (CID 134348344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).