3-chloro-1-ethyl-1-(4-fluorophenyl)urea

C9H10ClFN2O — CID 87646855

IUPAC3-chloro-1-ethyl-1-(4-fluorophenyl)urea
SMILESCCN(C(=O)NCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFN2O/c1-2-13(9(14)12-10)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyDFIMMSMPCWLKOM-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.52
Rot. Bonds2

About 3-chloro-1-ethyl-1-(4-fluorophenyl)urea

3-chloro-1-ethyl-1-(4-fluorophenyl)urea (PubChem CID 87646855) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-chloro-1-ethyl-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name3-chloro-1-ethyl-1-(4-fluorophenyl)urea
PubChem CID87646855
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name3-chloro-1-ethyl-1-(4-fluorophenyl)urea
SMILESCCN(C(=O)NCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFN2O/c1-2-13(9(14)12-10)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyDFIMMSMPCWLKOM-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463562
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827402
4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048002
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
(2R)-4-amino-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827403
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-1-(4-fluorophenyl)urea?
The IUPAC name of 3-chloro-1-ethyl-1-(4-fluorophenyl)urea (CID 87646855) is 3-chloro-1-ethyl-1-(4-fluorophenyl)urea.
What is the SMILES notation for 3-chloro-1-ethyl-1-(4-fluorophenyl)urea?
The canonical SMILES for 3-chloro-1-ethyl-1-(4-fluorophenyl)urea is CCN(C(=O)NCl)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-1-ethyl-1-(4-fluorophenyl)urea?
The InChIKey is DFIMMSMPCWLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-2-13(9(14)12-10)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 3-chloro-1-ethyl-1-(4-fluorophenyl)urea?
3-chloro-1-ethyl-1-(4-fluorophenyl)urea has a molecular weight of 216.64 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-1-(4-fluorophenyl)urea is sourced from PubChem (CID 87646855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).