N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide

C24H22ClFN2O3 — CID 26166788

IUPACN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-15(2)14-31-22-9-4-3-8-19(22)24(30)28-17-7-5-6-16(12-17)23(29)27-18-10-11-21(26)20(25)13-18/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKAZCEKDGLHGITN-UHFFFAOYSA-N
MW440.90 g/mol
LogP6.02
Rot. Bonds7

About N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide

N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 26166788) has the molecular formula C24H22ClFN2O3 and a molecular weight of 440.90 g/mol. Its IUPAC name is N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID26166788
Molecular FormulaC24H22ClFN2O3
Molecular Weight440.90 g/mol
Exact Mass440.13
IUPAC NameN-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-15(2)14-31-22-9-4-3-8-19(22)24(30)28-17-7-5-6-16(12-17)23(29)27-18-10-11-21(26)20(25)13-18/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKAZCEKDGLHGITN-UHFFFAOYSA-N
XLogP6.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.90
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 26166889
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
3-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 43878123
N-(3-chloro-4-fluorophenyl)-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 26167333
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
N-(3-chloro-4-fluorophenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide
CID 26167306
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide (CID 26166788) is N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is KAZCEKDGLHGITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O3/c1-15(2)14-31-22-9-4-3-8-19(22)24(30)28-17-7-5-6-16(12-17)23(29)27-18-10-11-21(26)20(25)13-18/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 440.90 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 26166788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).