1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

C19H23ClN2O2 — CID 99872953

IUPAC1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c20-18-8-6-15(7-9-18)14-22-19(24)21-12-10-17(11-13-23)16-4-2-1-3-5-16/h1-9,17,23H,10-14H2,(H2,21,22,24)/t17-/m0/s1
InChIKeyIHEUVLLEDITHCR-KRWDZBQOSA-N
MW346.86 g/mol
LogP3.70
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (PubChem CID 99872953) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
PubChem CID99872953
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c20-18-8-6-15(7-9-18)14-22-19(24)21-12-10-17(11-13-23)16-4-2-1-3-5-16/h1-9,17,23H,10-14H2,(H2,21,22,24)/t17-/m0/s1
InChIKeyIHEUVLLEDITHCR-KRWDZBQOSA-N
XLogP3.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (CID 99872953) is 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is O=C(NCC[C@@H](CCO)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The InChIKey is IHEUVLLEDITHCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-18-8-6-15(7-9-18)14-22-19(24)21-12-10-17(11-13-23)16-4-2-1-3-5-16/h1-9,17,23H,10-14H2,(H2,21,22,24)/t17-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea has a molecular weight of 346.86 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is sourced from PubChem (CID 99872953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).