1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea

C16H15ClN2O — CID 11958838

IUPAC1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea
SMILESO=C(N/C=C\c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19,20)/b11-10-
InChIKeyXKOIGPNWWVCRSB-KHPPLWFESA-N
MW286.76 g/mol
LogP3.81
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea

1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea (PubChem CID 11958838) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea
PubChem CID11958838
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea
SMILESO=C(N/C=C\c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19,20)/b11-10-
InChIKeyXKOIGPNWWVCRSB-KHPPLWFESA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea (CID 11958838) is 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea is O=C(N/C=C\c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea?
The InChIKey is XKOIGPNWWVCRSB-KHPPLWFESA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19,20)/b11-10-.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea has a molecular weight of 286.76 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(Z)-2-phenylethenyl]urea is sourced from PubChem (CID 11958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).