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

C18H20ClN3O2 — CID 848609

IUPAC1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)22(16(23)13-7-5-4-6-8-13)21-17(24)20-15-11-9-14(19)10-12-15/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyNDADXRZIOKLIGI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.32
Rot. Bonds2

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

1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea (PubChem CID 848609) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea
PubChem CID848609
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)22(16(23)13-7-5-4-6-8-13)21-17(24)20-15-11-9-14(19)10-12-15/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyNDADXRZIOKLIGI-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.32
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
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
N-(4-chlorophenyl)-4-methylbenzamide
CID 723112
4'-Chloro-M-toluanilide
CID 763862
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
1-(4-Acetylphenyl)-3-(4-chlorophenyl)urea
CID 721943
N-(((4-chlorophenyl)carbamothioyl)amino)-2-phenylacetamide
CID 848934

Frequently Asked Questions

What is the IUPAC name of 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea (CID 848609) is 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea is CC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea?
The InChIKey is NDADXRZIOKLIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,3)22(16(23)13-7-5-4-6-8-13)21-17(24)20-15-11-9-14(19)10-12-15/h4-12H,1-3H3,(H2,20,21,24).
What are the key properties of 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea?
1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea has a molecular weight of 345.83 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzoyl(tert-butyl)amino]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 848609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).