4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide

C20H22ClFN2O3 — CID 87026799

IUPAC4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H22ClFN2O3/c1-12(2)23-18(25)13-5-10-16(21)17(11-13)24-19(26)20(3,4)27-15-8-6-14(22)7-9-15/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyAXWDQYJRANAIGB-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.41
Rot. Bonds6

About 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide

4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 87026799) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID87026799
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H22ClFN2O3/c1-12(2)23-18(25)13-5-10-16(21)17(11-13)24-19(26)20(3,4)27-15-8-6-14(22)7-9-15/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyAXWDQYJRANAIGB-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
CID 38956500
2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 86982882
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide (CID 87026799) is 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=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-propan-2-ylbenzamide?
The InChIKey is AXWDQYJRANAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-12(2)23-18(25)13-5-10-16(21)17(11-13)24-19(26)20(3,4)27-15-8-6-14(22)7-9-15/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide?
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 392.86 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 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-propan-2-ylbenzamide is sourced from PubChem (CID 87026799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).