1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea

C11H14ClFN2O2 — CID 59778682

IUPAC1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea
SMILESCOc1c(Cl)cccc1CNC(=O)NCCF
InChIInChI=1S/C11H14ClFN2O2/c1-17-10-8(3-2-4-9(10)12)7-15-11(16)14-6-5-13/h2-4H,5-7H2,1H3,(H2,14,15,16)
InChIKeyZSXDYZZRHVPWDB-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.12
Rot. Bonds5

About 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea

1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 59778682) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea
PubChem CID59778682
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea
SMILESCOc1c(Cl)cccc1CNC(=O)NCCF
InChIInChI=1S/C11H14ClFN2O2/c1-17-10-8(3-2-4-9(10)12)7-15-11(16)14-6-5-13/h2-4H,5-7H2,1H3,(H2,14,15,16)
InChIKeyZSXDYZZRHVPWDB-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[(3-chloro-2-methoxyphenyl)methyl]-3-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]urea
CID 138019424
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea (CID 59778682) is 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea is COc1c(Cl)cccc1CNC(=O)NCCF.
What is the InChIKey of 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is ZSXDYZZRHVPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-17-10-8(3-2-4-9(10)12)7-15-11(16)14-6-5-13/h2-4H,5-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea?
1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 260.70 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 59778682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).