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

C19H22F2N2O5 — CID 32523814

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC
InChIInChI=1S/C19H22F2N2O5/c1-25-14-6-4-12(10-16(14)27-3)8-9-22-19(24)23-13-5-7-15(26-2)17(11-13)28-18(20)21/h4-7,10-11,18H,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyXDIVIIPWINYKKW-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.68
Rot. Bonds9

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

1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 32523814) has the molecular formula C19H22F2N2O5 and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID32523814
Molecular FormulaC19H22F2N2O5
Molecular Weight396.39 g/mol
Exact Mass396.15
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC
InChIInChI=1S/C19H22F2N2O5/c1-25-14-6-4-12(10-16(14)27-3)8-9-22-19(24)23-13-5-7-15(26-2)17(11-13)28-18(20)21/h4-7,10-11,18H,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyXDIVIIPWINYKKW-UHFFFAOYSA-N
XLogP3.68
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
CID 24528610
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 2207233
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95282179
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 4993331
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3,5-dimethylphenyl)thiourea
CID 8600105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 32523814) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is XDIVIIPWINYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5/c1-25-14-6-4-12(10-16(14)27-3)8-9-22-19(24)23-13-5-7-15(26-2)17(11-13)28-18(20)21/h4-7,10-11,18H,8-9H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 396.39 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 32523814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).