3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide

C24H22ClFN2O2 — CID 26166664

IUPAC3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H22ClFN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(29)27-18-6-4-5-16(13-18)23(30)28-19-11-12-21(26)20(25)14-19/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeyKPISVSWPTQPCOK-UHFFFAOYSA-N
MW424.90 g/mol
LogP6.28
Rot. Bonds4

About 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide

3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 26166664) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID26166664
Molecular FormulaC24H22ClFN2O2
Molecular Weight424.90 g/mol
Exact Mass424.14
IUPAC Name3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H22ClFN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(29)27-18-6-4-5-16(13-18)23(30)28-19-11-12-21(26)20(25)14-19/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeyKPISVSWPTQPCOK-UHFFFAOYSA-N
XLogP6.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.90
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide (CID 26166664) is 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is KPISVSWPTQPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c1-24(2,3)17-9-7-15(8-10-17)22(29)27-18-6-4-5-16(13-18)23(30)28-19-11-12-21(26)20(25)14-19/h4-14H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 424.90 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 26166664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).