N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

C27H18Cl2F2N2O3 — CID 70401584

IUPACN-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OCc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C27H18Cl2F2N2O3/c28-19-14-24(36-15-17-9-4-5-10-18(17)16-7-2-1-3-8-16)20(29)13-23(19)32-27(35)33-26(34)25-21(30)11-6-12-22(25)31/h1-14H,15H2,(H2,32,33,34,35)
InChIKeyIMQDUYLFHMUTNF-UHFFFAOYSA-N
MW527.35 g/mol
LogP7.48
Rot. Bonds6

About N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 70401584) has the molecular formula C27H18Cl2F2N2O3 and a molecular weight of 527.35 g/mol. Its IUPAC name is N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID70401584
Molecular FormulaC27H18Cl2F2N2O3
Molecular Weight527.35 g/mol
Exact Mass526.07
IUPAC NameN-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OCc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C27H18Cl2F2N2O3/c28-19-14-24(36-15-17-9-4-5-10-18(17)16-7-2-1-3-8-16)20(29)13-23(19)32-27(35)33-26(34)25-21(30)11-6-12-22(25)31/h1-14H,15H2,(H2,32,33,34,35)
InChIKeyIMQDUYLFHMUTNF-UHFFFAOYSA-N
XLogP7.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.35
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072665
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
N-[[2,5-dichloro-4-(1,1,2,2,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 22261259
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
5-chloro-4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91687279

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 70401584) is N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OCc2ccccc2-c2ccccc2)cc1Cl.
What is the InChIKey of N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is IMQDUYLFHMUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F2N2O3/c28-19-14-24(36-15-17-9-4-5-10-18(17)16-7-2-1-3-8-16)20(29)13-23(19)32-27(35)33-26(34)25-21(30)11-6-12-22(25)31/h1-14H,15H2,(H2,32,33,34,35).
What are the key properties of N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 527.35 g/mol, XLogP of 7.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 70401584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).