1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea

C20H20F2N2O2 — CID 86875310

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
SMILESC#CCOc1ccc(CCNC(=O)NC(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-3-12-26-17-7-4-15(5-8-17)10-11-23-20(25)24-14(2)18-9-6-16(21)13-19(18)22/h1,4-9,13-14H,10-12H2,2H3,(H2,23,24,25)
InChIKeyINDRHOKAIIBIAV-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds7

About 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea

1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea (PubChem CID 86875310) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
PubChem CID86875310
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
SMILESC#CCOc1ccc(CCNC(=O)NC(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-3-12-26-17-7-4-15(5-8-17)10-11-23-20(25)24-14(2)18-9-6-16(21)13-19(18)22/h1,4-9,13-14H,10-12H2,2H3,(H2,23,24,25)
InChIKeyINDRHOKAIIBIAV-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 86875382
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
2-[4-[2-[3-(2,4-difluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 120529005
(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 94814042
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-[(4-fluorophenyl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]-1-prop-2-ynylurea
CID 86875434
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea (CID 86875310) is 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea is C#CCOc1ccc(CCNC(=O)NC(C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea?
The InChIKey is INDRHOKAIIBIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-3-12-26-17-7-4-15(5-8-17)10-11-23-20(25)24-14(2)18-9-6-16(21)13-19(18)22/h1,4-9,13-14H,10-12H2,2H3,(H2,23,24,25).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea?
1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea has a molecular weight of 358.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea is sourced from PubChem (CID 86875310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).