1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea

C18H19ClF2N2O — CID 55922684

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
SMILESCC(Cc1c(F)cccc1F)NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H19ClF2N2O/c1-12(10-15-16(20)6-3-7-17(15)21)23-18(24)22-9-8-13-4-2-5-14(19)11-13/h2-7,11-12H,8-10H2,1H3,(H2,22,23,24)
InChIKeyPWYKPKBEYAYOSC-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.09
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea (PubChem CID 55922684) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
PubChem CID55922684
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
SMILESCC(Cc1c(F)cccc1F)NC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H19ClF2N2O/c1-12(10-15-16(20)6-3-7-17(15)21)23-18(24)22-9-8-13-4-2-5-14(19)11-13/h2-7,11-12H,8-10H2,1H3,(H2,22,23,24)
InChIKeyPWYKPKBEYAYOSC-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97215000
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112995856
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea (CID 55922684) is 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea is CC(Cc1c(F)cccc1F)NC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea?
The InChIKey is PWYKPKBEYAYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c1-12(10-15-16(20)6-3-7-17(15)21)23-18(24)22-9-8-13-4-2-5-14(19)11-13/h2-7,11-12H,8-10H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea has a molecular weight of 352.81 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 55922684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).