1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea

C17H18ClFN2O2 — CID 90599413

IUPAC1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
SMILESCOC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H18ClFN2O2/c1-17(23-2,14-5-3-4-6-15(14)19)11-20-16(22)21-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H2,20,21,22)
InChIKeyHVBKPKSQFUFHCI-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea

1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea (PubChem CID 90599413) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
PubChem CID90599413
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
SMILESCOC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H18ClFN2O2/c1-17(23-2,14-5-3-4-6-15(14)19)11-20-16(22)21-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H2,20,21,22)
InChIKeyHVBKPKSQFUFHCI-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97428533
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 71810708
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 97428542
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea (CID 90599413) is 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea is COC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea?
The InChIKey is HVBKPKSQFUFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-17(23-2,14-5-3-4-6-15(14)19)11-20-16(22)21-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea?
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea has a molecular weight of 336.79 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea is sourced from PubChem (CID 90599413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).