1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea

C17H18ClFN2O2 — CID 99876265

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-23-16(14-4-2-3-5-15(14)18)11-21-17(22)20-10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyUNPKHDVGKUZOGG-INIZCTEOSA-N
MW336.79 g/mol
LogP3.67
Rot. Bonds6

About 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea

1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 99876265) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID99876265
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-23-16(14-4-2-3-5-15(14)18)11-21-17(22)20-10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyUNPKHDVGKUZOGG-INIZCTEOSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 99876147
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea (CID 99876265) is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea is CO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is UNPKHDVGKUZOGG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-23-16(14-4-2-3-5-15(14)18)11-21-17(22)20-10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 336.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 99876265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).