1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

C15H14ClFN2O — CID 27868351

IUPAC1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O/c1-10(11-5-7-13(17)8-6-11)18-15(20)19-14-4-2-3-12(16)9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyZSLHCLDAKHALMA-SNVBAGLBSA-N
MW292.74 g/mol
LogP4.36
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (PubChem CID 27868351) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
PubChem CID27868351
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O/c1-10(11-5-7-13(17)8-6-11)18-15(20)19-14-4-2-3-12(16)9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1
InChIKeyZSLHCLDAKHALMA-SNVBAGLBSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-(3-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 17182100
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
1-[3-(azepane-1-carbonyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]urea
CID 97436456
1-[3-(azepane-1-carbonyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 72860619
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (CID 27868351) is 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The InChIKey is ZSLHCLDAKHALMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(11-5-7-13(17)8-6-11)18-15(20)19-14-4-2-3-12(16)9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea has a molecular weight of 292.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 27868351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).