1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea

C24H20F4N2O2 — CID 42698114

IUPAC1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1/C=C/CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H20F4N2O2/c1-32-22-7-3-2-5-17(22)6-4-16-30(21-14-10-19(25)11-15-21)23(31)29-20-12-8-18(9-13-20)24(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b6-4+
InChIKeyNOLYNNFUGYADFQ-GQCTYLIASA-N
MW444.43 g/mol
LogP6.61
Rot. Bonds6

About 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea

1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 42698114) has the molecular formula C24H20F4N2O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID42698114
Molecular FormulaC24H20F4N2O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1/C=C/CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H20F4N2O2/c1-32-22-7-3-2-5-17(22)6-4-16-30(21-14-10-19(25)11-15-21)23(31)29-20-12-8-18(9-13-20)24(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b6-4+
InChIKeyNOLYNNFUGYADFQ-GQCTYLIASA-N
XLogP6.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]hexanamide
CID 42698622
1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
CID 129012477
1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-[3-(2-methoxyphenyl)prop-2-enyl]-3-phenylurea
CID 4596998
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 3919303
2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
CID 42698583
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
CID 4022936
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175252681

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 42698114) is 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccccc1/C=C/CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NOLYNNFUGYADFQ-GQCTYLIASA-N. The full InChI is InChI=1S/C24H20F4N2O2/c1-32-22-7-3-2-5-17(22)6-4-16-30(21-14-10-19(25)11-15-21)23(31)29-20-12-8-18(9-13-20)24(26,27)28/h2-15H,16H2,1H3,(H,29,31)/b6-4+.
What are the key properties of 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 444.43 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42698114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).