1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea

C22H17ClN2O2 — CID 11176351

IUPAC1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O2/c23-18-9-13-20(14-10-18)25-22(27)24-19-11-7-17(8-12-19)21(26)15-6-16-4-2-1-3-5-16/h1-15H,(H2,24,25,27)/b15-6+
InChIKeyBFZGOTURPZHLCU-GIDUJCDVSA-N
MW376.84 g/mol
LogP5.88
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea

1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea (PubChem CID 11176351) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
PubChem CID11176351
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O2/c23-18-9-13-20(14-10-18)25-22(27)24-19-11-7-17(8-12-19)21(26)15-6-16-4-2-1-3-5-16/h1-15H,(H2,24,25,27)/b15-6+
InChIKeyBFZGOTURPZHLCU-GIDUJCDVSA-N
XLogP5.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(Z)-4-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino]-4-oxobut-2-enoic acid
CID 10948254
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-chlorophenyl)sulfonylurea
CID 16734964
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CID 163752454
1-(4-chlorophenyl)sulfonyl-3-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]urea
CID 16734957
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
1-(4-methylphenyl)sulfonyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 16734960
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 7918870

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea (CID 11176351) is 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The InChIKey is BFZGOTURPZHLCU-GIDUJCDVSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-18-9-13-20(14-10-18)25-22(27)24-19-11-7-17(8-12-19)21(26)15-6-16-4-2-1-3-5-16/h1-15H,(H2,24,25,27)/b15-6+.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea has a molecular weight of 376.84 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea is sourced from PubChem (CID 11176351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).