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

C18H20ClN3O2 — CID 840661

IUPAC1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-22-17(24)20-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyWQGSKXABIQBQMZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.10
Rot. Bonds2

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

1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea (PubChem CID 840661) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
PubChem CID840661
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-22-17(24)20-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyWQGSKXABIQBQMZ-UHFFFAOYSA-N
XLogP4.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
1-(4-chlorophenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 3309712
4-tert-butyl-N-[[4-[(4-chlorobenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 174979298
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
CID 10665600
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
CID 70307077
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea (CID 840661) is 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea is CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea?
The InChIKey is WQGSKXABIQBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,3)13-6-4-12(5-7-13)16(23)21-22-17(24)20-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea?
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea has a molecular weight of 345.83 g/mol, XLogP of 4.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 840661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).