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

C23H19FN2O3 — CID 11395170

IUPAC1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H19FN2O3/c1-29-21-13-11-20(12-14-21)26-23(28)25-19-9-5-17(6-10-19)22(27)15-4-16-2-7-18(24)8-3-16/h2-15H,1H3,(H2,25,26,28)/b15-4+
InChIKeyMRJDNDRTTJSDAH-SYZQJQIISA-N
MW390.41 g/mol
LogP5.37
Rot. Bonds6

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

1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 11395170) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea
PubChem CID11395170
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H19FN2O3/c1-29-21-13-11-20(12-14-21)26-23(28)25-19-9-5-17(6-10-19)22(27)15-4-16-2-7-18(24)8-3-16/h2-15H,1H3,(H2,25,26,28)/b15-4+
InChIKeyMRJDNDRTTJSDAH-SYZQJQIISA-N
XLogP5.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
[4-[(4-Acetylphenyl)carbamoylamino]phenyl] sulfamate
CID 70696643
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
phenyl N-(4-acetylphenyl)carbamate
CID 806009
3-fluoro-N-(4-methoxyphenyl)benzamide
CID 532009
3-(2-Methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
CID 134822023
(1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
CID 24768268
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500
3-methoxy-N-{4-[(phenylacetyl)amino]phenyl}benzamide
CID 1306000
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea (CID 11395170) is 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is MRJDNDRTTJSDAH-SYZQJQIISA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-29-21-13-11-20(12-14-21)26-23(28)25-19-9-5-17(6-10-19)22(27)15-4-16-2-7-18(24)8-3-16/h2-15H,1H3,(H2,25,26,28)/b15-4+.
What are the key properties of 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea?
1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 390.41 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 11395170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).