N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

C24H26Cl2F2N2O3 — CID 21285673

IUPACN-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCCCC(Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)C1CCCCC1
InChIInChI=1S/C24H26Cl2F2N2O3/c1-2-7-20(14-8-4-3-5-9-14)33-22-16(25)12-15(13-17(22)26)29-24(32)30-23(31)21-18(27)10-6-11-19(21)28/h6,10-14,20H,2-5,7-9H2,1H3,(H2,29,30,31,32)
InChIKeyXPCCADRCGYFOST-UHFFFAOYSA-N
MW499.39 g/mol
LogP7.36
Rot. Bonds7

About N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 21285673) has the molecular formula C24H26Cl2F2N2O3 and a molecular weight of 499.39 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID21285673
Molecular FormulaC24H26Cl2F2N2O3
Molecular Weight499.39 g/mol
Exact Mass498.13
IUPAC NameN-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCCCC(Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)C1CCCCC1
InChIInChI=1S/C24H26Cl2F2N2O3/c1-2-7-20(14-8-4-3-5-9-14)33-22-16(25)12-15(13-17(22)26)29-24(32)30-23(31)21-18(27)10-6-11-19(21)28/h6,10-14,20H,2-5,7-9H2,1H3,(H2,29,30,31,32)
InChIKeyXPCCADRCGYFOST-UHFFFAOYSA-N
XLogP7.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 14370440
2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
CID 23454911
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 21285673) is N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is CCCC(Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is XPCCADRCGYFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F2N2O3/c1-2-7-20(14-8-4-3-5-9-14)33-22-16(25)12-15(13-17(22)26)29-24(32)30-23(31)21-18(27)10-6-11-19(21)28/h6,10-14,20H,2-5,7-9H2,1H3,(H2,29,30,31,32).
What are the key properties of N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 499.39 g/mol, XLogP of 7.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(1-cyclohexylbutoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 21285673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).