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

C15H12ClFN2O2 — CID 110601749

IUPAC1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN2O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8H,9H2,(H2,18,19,21)
InChIKeyLCMBREUEJLTDGC-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.48
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea (PubChem CID 110601749) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
PubChem CID110601749
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClFN2O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8H,9H2,(H2,18,19,21)
InChIKeyLCMBREUEJLTDGC-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7951655
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea (CID 110601749) is 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea is O=C(NCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea?
The InChIKey is LCMBREUEJLTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8H,9H2,(H2,18,19,21).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea has a molecular weight of 306.72 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea is sourced from PubChem (CID 110601749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).