1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C19H21ClN2O — CID 19168353

IUPAC1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
InChIKeyUGJSDSSWALXBBW-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.43
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 19168353) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID19168353
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23)
InChIKeyUGJSDSSWALXBBW-UHFFFAOYSA-N
XLogP5.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 19168353) is 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is UGJSDSSWALXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 328.84 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 19168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).