1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea

C14H11Cl2FN2O — CID 47103647

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C14H11Cl2FN2O/c15-10-6-5-9(11(16)7-10)8-18-14(20)19-13-4-2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyZQASEKLZKOKJKH-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.45
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea

1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 47103647) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
PubChem CID47103647
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C14H11Cl2FN2O/c15-10-6-5-9(11(16)7-10)8-18-14(20)19-13-4-2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyZQASEKLZKOKJKH-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-[3-(3-chlorophenyl)prop-2-ynyl]-3-(2-fluorophenyl)urea
CID 90552840
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975759
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 1388441

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea (CID 47103647) is 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea is O=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1F.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is ZQASEKLZKOKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-10-6-5-9(11(16)7-10)8-18-14(20)19-13-4-2-1-3-12(13)17/h1-7H,8H2,(H2,18,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea?
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 313.16 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 47103647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).