1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

C17H18F2N2O3 — CID 2955398

IUPAC1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyMYEZZBXQPZHWDS-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.86
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 2955398) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID2955398
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyMYEZZBXQPZHWDS-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604
1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 1298550
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-(2,4-difluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244088
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200265
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (CID 2955398) is 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is MYEZZBXQPZHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 336.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 2955398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).