[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate

C18H17Cl2NO3 — CID 2804336

IUPAC[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)ONC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-18(2,3)13-7-4-11(5-8-13)17(23)24-21-16(22)12-6-9-14(19)15(20)10-12/h4-10H,1-3H3,(H,21,22)
InChIKeyMZUWDVJZFSIUHF-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.79
Rot. Bonds2

About [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate

[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate (PubChem CID 2804336) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate.

Molecular Properties

Compound Name[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate
PubChem CID2804336
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)ONC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-18(2,3)13-7-4-11(5-8-13)17(23)24-21-16(22)12-6-9-14(19)15(20)10-12/h4-10H,1-3H3,(H,21,22)
InChIKeyMZUWDVJZFSIUHF-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 19581648
[(3,4-Dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
CID 2804334
4-[5-(3,4-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]benzoic acid
CID 90866235
Benzamido 4-chlorobenzoate
CID 2804317
[[1-Amino-2-(3,4-dichlorophenyl)ethylidene]amino] 3,4-dimethylbenzoate
CID 2184676
[[1-Amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-methylbenzoate
CID 2941438
[(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 3,4-dimethylbenzoate
CID 9587428
(1Z)-2-(3,4-dichlorophenyl)-N'-{[(4-methylphenyl)carbonyl]oxy}ethanimidamide
CID 9587478
(4-Carbamoylphenyl)methyl 3,4-dichlorobenzoate
CID 26963803
Benzenecarboimidic acid, N-(3,4-dichlorobenzyloxy)-
CID 570900
N-(Benzoyloxy)-4-chlorobenzamide
CID 15701560
[(4-Chlorobenzoyl)amino] 4-chlorobenzoate
CID 14397513

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate?
The IUPAC name of [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate (CID 2804336) is [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate.
What is the SMILES notation for [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate?
The canonical SMILES for [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate is CC(C)(C)c1ccc(C(=O)ONC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate?
The InChIKey is MZUWDVJZFSIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-18(2,3)13-7-4-11(5-8-13)17(23)24-21-16(22)12-6-9-14(19)15(20)10-12/h4-10H,1-3H3,(H,21,22).
What are the key properties of [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate?
[(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichlorobenzoyl)amino] 4-tert-butylbenzoate is sourced from PubChem (CID 2804336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).