N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide

C26H27ClN2O3 — CID 15991907

IUPACN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl
InChIInChI=1S/C26H27ClN2O3/c1-5-32-23-15-8-18(16-22(23)27)25(31)29-21-13-11-20(12-14-21)28-24(30)17-6-9-19(10-7-17)26(2,3)4/h6-16H,5H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyATOGGPKAXOFWCI-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.54
Rot. Bonds6

About N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide (PubChem CID 15991907) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
PubChem CID15991907
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl
InChIInChI=1S/C26H27ClN2O3/c1-5-32-23-15-8-18(16-22(23)27)25(31)29-21-13-11-20(12-14-21)28-24(30)17-6-9-19(10-7-17)26(2,3)4/h6-16H,5H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyATOGGPKAXOFWCI-UHFFFAOYSA-N
XLogP6.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[4-[[(3-bromo-4-ethoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17073921
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
N-[(4-acetamidophenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 1338767
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide?
The IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide (CID 15991907) is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide.
What is the SMILES notation for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide?
The canonical SMILES for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide?
The InChIKey is ATOGGPKAXOFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-5-32-23-15-8-18(16-22(23)27)25(31)29-21-13-11-20(12-14-21)28-24(30)17-6-9-19(10-7-17)26(2,3)4/h6-16H,5H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide?
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide has a molecular weight of 450.97 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide is sourced from PubChem (CID 15991907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).