1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea

C15H16ClFN2OS — CID 60572992

IUPAC1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2OS/c1-10(11-4-5-14(17)13(16)9-11)19-15(20)18-7-6-12-3-2-8-21-12/h2-5,8-10H,6-7H2,1H3,(H2,18,19,20)
InChIKeyFKZOOQTZCHDRTB-UHFFFAOYSA-N
MW326.82 g/mol
LogP4.14
Rot. Bonds5

About 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea

1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 60572992) has the molecular formula C15H16ClFN2OS and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID60572992
Molecular FormulaC15H16ClFN2OS
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2OS/c1-10(11-4-5-14(17)13(16)9-11)19-15(20)18-7-6-12-3-2-8-21-12/h2-5,8-10H,6-7H2,1H3,(H2,18,19,20)
InChIKeyFKZOOQTZCHDRTB-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60580849
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
1-(3-chloro-4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242017
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 112764256
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 42924591
1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52504529
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52504531
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(3-hydroxybutyl)urea
CID 111337234

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea (CID 60572992) is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea is CC(NC(=O)NCCc1cccs1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is FKZOOQTZCHDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2OS/c1-10(11-4-5-14(17)13(16)9-11)19-15(20)18-7-6-12-3-2-8-21-12/h2-5,8-10H,6-7H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 326.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 60572992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).