1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea

C16H16ClFN2O2 — CID 135238903

IUPAC1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O2/c17-12-3-7-14(8-4-12)19-16(22)20-15(10-21)9-11-1-5-13(18)6-2-11/h1-8,15,21H,9-10H2,(H2,19,20,22)
InChIKeyIVIWOVREOKHZJH-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea

1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea (PubChem CID 135238903) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea
PubChem CID135238903
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O2/c17-12-3-7-14(8-4-12)19-16(22)20-15(10-21)9-11-1-5-13(18)6-2-11/h1-8,15,21H,9-10H2,(H2,19,20,22)
InChIKeyIVIWOVREOKHZJH-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-amino-4-(4-chlorophenyl)-3-[(4-fluorophenyl)carbamoylamino]butylidene]-2-hydroxyacetamide
CID 135238869
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[(2S)-1-amino-3-(4-chlorophenyl)-2-[(4-fluorophenyl)carbamoylamino]propylidene]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 135255243
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
CID 70346476
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
2-[5-[(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]propyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 135239017
1-(6-chloro-3-pyridinyl)-3-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]urea
CID 135238768
1-(1,3-benzodioxol-5-yl)-3-[1,3-bis(4-fluorophenyl)propan-2-yl]urea
CID 46286172
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
1-[1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-3-phenylurea
CID 46286179
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea (CID 135238903) is 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea is O=C(Nc1ccc(Cl)cc1)NC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea?
The InChIKey is IVIWOVREOKHZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-12-3-7-14(8-4-12)19-16(22)20-15(10-21)9-11-1-5-13(18)6-2-11/h1-8,15,21H,9-10H2,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea?
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea has a molecular weight of 322.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea is sourced from PubChem (CID 135238903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).