prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate

C24H22F3N3O5 — CID 11720103

IUPACprop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate
SMILESC=CCOC(=O)Nc1cn(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC
InChIInChI=1S/C24H22F3N3O5/c1-4-13-34-23(32)29-19-14-30(2)20(21(19)33-3)22(31)28-16-7-11-18(12-8-16)35-17-9-5-15(6-10-17)24(25,26)27/h4-12,14H,1,13H2,2-3H3,(H,28,31)(H,29,32)
InChIKeyJZAVEDIRAVFFOQ-UHFFFAOYSA-N
MW489.45 g/mol
LogP5.83
Rot. Bonds8

About prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate

prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate (PubChem CID 11720103) has the molecular formula C24H22F3N3O5 and a molecular weight of 489.45 g/mol. Its IUPAC name is prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate
PubChem CID11720103
Molecular FormulaC24H22F3N3O5
Molecular Weight489.45 g/mol
Exact Mass489.15
IUPAC Nameprop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate
SMILESC=CCOC(=O)Nc1cn(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC
InChIInChI=1S/C24H22F3N3O5/c1-4-13-34-23(32)29-19-14-30(2)20(21(19)33-3)22(31)28-16-7-11-18(12-8-16)35-17-9-5-15(6-10-17)24(25,26)27/h4-12,14H,1,13H2,2-3H3,(H,28,31)(H,29,32)
InChIKeyJZAVEDIRAVFFOQ-UHFFFAOYSA-N
XLogP5.83
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-methoxy-1-methyl-5-[[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 24798645
methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate
CID 23544594
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
prop-2-enyl N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188366
2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 18709944
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
[4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridinyl] acetate
CID 20636750
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
5-phenoxy-2-(prop-2-enoxycarbonylamino)benzoic acid
CID 167736844
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate (CID 11720103) is prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate is C=CCOC(=O)Nc1cn(C)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC.
What is the InChIKey of prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate?
The InChIKey is JZAVEDIRAVFFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5/c1-4-13-34-23(32)29-19-14-30(2)20(21(19)33-3)22(31)28-16-7-11-18(12-8-16)35-17-9-5-15(6-10-17)24(25,26)27/h4-12,14H,1,13H2,2-3H3,(H,28,31)(H,29,32).
What are the key properties of prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate?
prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate has a molecular weight of 489.45 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate is sourced from PubChem (CID 11720103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).