(3-chloro-2-fluorophenyl)urea

C7H6ClFN2O — CID 28969166

IUPAC(3-chloro-2-fluorophenyl)urea
SMILESNC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyVDTGYPCCRGYONB-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.97
Rot. Bonds1

About (3-chloro-2-fluorophenyl)urea

(3-chloro-2-fluorophenyl)urea (PubChem CID 28969166) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)urea.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)urea
PubChem CID28969166
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC Name(3-chloro-2-fluorophenyl)urea
SMILESNC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyVDTGYPCCRGYONB-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
2-amino-N-(3-chloro-2-fluorophenyl)-2-phenylacetamide
CID 43123024
3-amino-N-(3-chloro-2-fluorophenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878073
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one
CID 53384954
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)urea?
The IUPAC name of (3-chloro-2-fluorophenyl)urea (CID 28969166) is (3-chloro-2-fluorophenyl)urea.
What is the SMILES notation for (3-chloro-2-fluorophenyl)urea?
The canonical SMILES for (3-chloro-2-fluorophenyl)urea is NC(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)urea?
The InChIKey is VDTGYPCCRGYONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (3-chloro-2-fluorophenyl)urea?
(3-chloro-2-fluorophenyl)urea has a molecular weight of 188.59 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)urea is sourced from PubChem (CID 28969166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).