1-(3-chloro-4-fluorophenyl)ethylurea

C9H10ClFN2O — CID 121418014

IUPAC1-(3-chloro-4-fluorophenyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O/c1-5(13-9(12)14)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H3,12,13,14)
InChIKeyYWKJJUIXDSIQTF-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.21
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)ethylurea

1-(3-chloro-4-fluorophenyl)ethylurea (PubChem CID 121418014) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)ethylurea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)ethylurea
PubChem CID121418014
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name1-(3-chloro-4-fluorophenyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O/c1-5(13-9(12)14)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H3,12,13,14)
InChIKeyYWKJJUIXDSIQTF-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
2-chloro-2-(3-chloro-4-fluorophenyl)-N-propan-2-ylacetamide
CID 81166501
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110904151
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
4-(aminomethyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120927321
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)ethylurea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)ethylurea (CID 121418014) is 1-(3-chloro-4-fluorophenyl)ethylurea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)ethylurea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)ethylurea is CC(NC(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)ethylurea?
The InChIKey is YWKJJUIXDSIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-5(13-9(12)14)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 1-(3-chloro-4-fluorophenyl)ethylurea?
1-(3-chloro-4-fluorophenyl)ethylurea has a molecular weight of 216.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)ethylurea is sourced from PubChem (CID 121418014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).