1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea

C10H11Cl2FN2O — CID 25119146

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2FN2O/c11-8-3-1-2-7(9(8)12)6-15-10(16)14-5-4-13/h1-3H,4-6H2,(H2,14,15,16)
InChIKeyRCRAWQPOBMMCAQ-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.76
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea

1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 25119146) has the molecular formula C10H11Cl2FN2O and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea
PubChem CID25119146
Molecular FormulaC10H11Cl2FN2O
Molecular Weight265.12 g/mol
Exact Mass264.02
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2FN2O/c11-8-3-1-2-7(9(8)12)6-15-10(16)14-5-4-13/h1-3H,4-6H2,(H2,14,15,16)
InChIKeyRCRAWQPOBMMCAQ-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Lozilurea
CID 68907
1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
N,N'-Di(p-chlorobenzyl)urea
CID 253257
[(2-Chlorophenyl)methyl]urea
CID 1484506
N-(4-chlorobenzyl)urea
CID 1484508
1-[(2-Chlorophenyl)methyl]-3-[1-(2,3-dichlorophenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 60165265
1-[(4-Chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 822893
3-Chlorobenzylurea
CID 2732577
1-(3,4-dichlorobenzyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidone
CID 160240
[(2,3-Dichlorophenyl)methyl](methyl)amine
CID 2060844
1,3-Bis[(3-chlorophenyl)methyl]urea
CID 2545658

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea (CID 25119146) is 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea is O=C(NCCF)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is RCRAWQPOBMMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O/c11-8-3-1-2-7(9(8)12)6-15-10(16)14-5-4-13/h1-3H,4-6H2,(H2,14,15,16).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea?
1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 265.12 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25119146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).