4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide

C19H20ClFN2O3 — CID 38956500

IUPAC4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H20ClFN2O3/c1-19(2,26-14-8-6-13(21)7-9-14)18(25)22-16-11-12(5-10-15(16)20)17(24)23(3)4/h5-11H,1-4H3,(H,22,25)
InChIKeyBANPQHXHRMUAMR-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.98
Rot. Bonds5

About 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide

4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide (PubChem CID 38956500) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
PubChem CID38956500
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H20ClFN2O3/c1-19(2,26-14-8-6-13(21)7-9-14)18(25)22-16-11-12(5-10-15(16)20)17(24)23(3)4/h5-11H,1-4H3,(H,22,25)
InChIKeyBANPQHXHRMUAMR-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 87026799
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956193
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide (CID 38956500) is 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is BANPQHXHRMUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-19(2,26-14-8-6-13(21)7-9-14)18(25)22-16-11-12(5-10-15(16)20)17(24)23(3)4/h5-11H,1-4H3,(H,22,25).
What are the key properties of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide?
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 378.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 38956500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).