1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea

C17H19FN2O2 — CID 97038671

IUPAC1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c18-15-8-6-13(7-9-15)12-20-17(22)19-11-10-16(21)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyAEHZKXFKXQSTRO-MRXNPFEDSA-N
MW302.35 g/mol
LogP2.75
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea

1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea (PubChem CID 97038671) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
PubChem CID97038671
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c18-15-8-6-13(7-9-15)12-20-17(22)19-11-10-16(21)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyAEHZKXFKXQSTRO-MRXNPFEDSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97042999
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea (CID 97038671) is 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea is O=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea?
The InChIKey is AEHZKXFKXQSTRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-8-6-13(7-9-15)12-20-17(22)19-11-10-16(21)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea has a molecular weight of 302.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea is sourced from PubChem (CID 97038671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).