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

C17H18F2N2O3 — CID 47032164

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-10(13-6-4-11(18)8-14(13)19)20-17(22)21-12-5-7-15(23-2)16(9-12)24-3/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyMNNFUNYNVWXKEY-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.86
Rot. Bonds5

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

1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 47032164) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID47032164
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-10(13-6-4-11(18)8-14(13)19)20-17(22)21-12-5-7-15(23-2)16(9-12)24-3/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyMNNFUNYNVWXKEY-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-[1-(2,4-difluorophenyl)ethyl]-3-(3-methyl-4-nitrophenyl)urea
CID 112839754
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94120662
4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide
CID 51952508
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7965958
1-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-(3,4-dimethoxyphenyl)thiourea
CID 2209428
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 108879704
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea (CID 47032164) is 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC(C)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is MNNFUNYNVWXKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(13-6-4-11(18)8-14(13)19)20-17(22)21-12-5-7-15(23-2)16(9-12)24-3/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)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-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 47032164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).