1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea

C18H19ClFN3O2 — CID 989654

IUPAC1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19ClFN3O2/c1-18(2,3)23(16(24)14-6-4-5-7-15(14)20)22-17(25)21-13-10-8-12(19)9-11-13/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyANNMQCFLSQCZGR-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.46
Rot. Bonds2

About 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea

1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea (PubChem CID 989654) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea
PubChem CID989654
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19ClFN3O2/c1-18(2,3)23(16(24)14-6-4-5-7-15(14)20)22-17(25)21-13-10-8-12(19)9-11-13/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyANNMQCFLSQCZGR-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'}

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Related Compounds

Diflubenzuron
CID 37123
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
3-({[(4-Chlorophenyl)amino]carbonyl}amino)benzamide
CID 794912
N-(4-chlorophenyl)-4-fluorobenzamide
CID 2837042
2-tert-butyl-2-(2-chlorobenzoyl)-N-phenylhydrazinecarboxamide
CID 682785
2-(3-bromobenzoyl)-N-(4-chlorophenyl)hydrazinecarboxamide
CID 1011161
2-(2-chlorobenzoyl)-N-(2-ethylphenyl)hydrazinecarbothioamide
CID 2207717

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea (CID 989654) is 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea is CC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1F.
What is the InChIKey of 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea?
The InChIKey is ANNMQCFLSQCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-18(2,3)23(16(24)14-6-4-5-7-15(14)20)22-17(25)21-13-10-8-12(19)9-11-13/h4-11H,1-3H3,(H2,21,22,25).
What are the key properties of 1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea?
1-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)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-[tert-butyl-(2-fluorobenzoyl)amino]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 989654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).