1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea

C18H19ClFN3O2 — CID 140969468

IUPAC1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-18(2,3)23(22-16(24)12-7-5-4-6-8-12)17(25)21-13-9-10-15(20)14(19)11-13/h4-11H,1-3H3,(H,21,25)(H,22,24)
InChIKeyNLOLRJGIGZMHLW-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.46
Rot. Bonds2

About 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea

1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea (PubChem CID 140969468) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea
PubChem CID140969468
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-18(2,3)23(22-16(24)12-7-5-4-6-8-12)17(25)21-13-9-10-15(20)14(19)11-13/h4-11H,1-3H3,(H,21,25)(H,22,24)
InChIKeyNLOLRJGIGZMHLW-UHFFFAOYSA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea?
The IUPAC name of 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea (CID 140969468) is 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea.
What is the SMILES notation for 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea?
The canonical SMILES for 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea?
The InChIKey is NLOLRJGIGZMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-18(2,3)23(22-16(24)12-7-5-4-6-8-12)17(25)21-13-9-10-15(20)14(19)11-13/h4-11H,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea?
1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea has a molecular weight of 363.82 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-1-tert-butyl-3-(3-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 140969468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).